id	sid	tid	token	lemma	pos
dti-1366	1	1	https://doi.org/10.1177/1177392817701726	https://doi.org/10.1177/1177392817701726	PROPN
dti-1366	1	2	creative	creative	ADJ
dti-1366	1	3	commons	common	NOUN
dti-1366	1	4	non	non	ADJ
dti-1366	1	5	commercial	commercial	PROPN
dti-1366	1	6	cc	cc	PROPN
dti-1366	1	7	by	by	ADP
dti-1366	1	8	-	-	PUNCT
dti-1366	1	9	nc	nc	PROPN
dti-1366	1	10	:	:	PUNCT
dti-1366	1	11	this	this	DET
dti-1366	1	12	article	article	NOUN
dti-1366	1	13	is	be	AUX
dti-1366	1	14	distributed	distribute	VERB
dti-1366	1	15	under	under	ADP
dti-1366	1	16	the	the	DET
dti-1366	1	17	terms	term	NOUN
dti-1366	1	18	of	of	ADP
dti-1366	1	19	the	the	DET
dti-1366	1	20	creative	creative	ADJ
dti-1366	1	21	commons	common	NOUN
dti-1366	1	22	attribution	attribution	NOUN
dti-1366	1	23	-	-	PUNCT
dti-1366	1	24	noncommercial	noncommercial	ADJ
dti-1366	1	25	4.0	4.0	NUM
dti-1366	1	26	license	license	NOUN
dti-1366	1	27	(	(	PUNCT
dti-1366	1	28	http://www.creativecommons.org/licenses/by-nc/4.0/	http://www.creativecommons.org/licenses/by-nc/4.0/	PROPN
dti-1366	1	29	)	)	PUNCT
dti-1366	1	30	which	which	PRON
dti-1366	1	31	permits	permit	VERB
dti-1366	1	32	non	non	ADJ
dti-1366	1	33	-	-	ADJ
dti-1366	1	34	commercial	commercial	ADJ
dti-1366	1	35	use	use	NOUN
dti-1366	1	36	,	,	PUNCT
dti-1366	1	37	reproduction	reproduction	NOUN
dti-1366	1	38	and	and	CCONJ
dti-1366	1	39	distribution	distribution	NOUN
dti-1366	1	40	of	of	ADP
dti-1366	1	41	the	the	DET
dti-1366	1	42	work	work	NOUN
dti-1366	1	43	without	without	ADP
dti-1366	1	44	further	further	ADJ
dti-1366	1	45	permission	permission	NOUN
dti-1366	1	46	provided	provide	VERB
dti-1366	1	47	the	the	DET
dti-1366	1	48	original	original	ADJ
dti-1366	1	49	work	work	NOUN
dti-1366	1	50	is	be	AUX
dti-1366	1	51	attributed	attribute	VERB
dti-1366	1	52	as	as	ADP
dti-1366	1	53	specified	specify	VERB
dti-1366	1	54	on	on	ADP
dti-1366	1	55	the	the	DET
dti-1366	1	56	sage	sage	NOUN
dti-1366	1	57	and	and	CCONJ
dti-1366	1	58	open	open	ADJ
dti-1366	1	59	access	access	NOUN
dti-1366	1	60	pages	page	NOUN
dti-1366	1	61	(	(	PUNCT
dti-1366	1	62	https://us.sagepub.com/en-us/nam/open-access-at-sage	https://us.sagepub.com/en-us/nam/open-access-at-sage	NOUN
dti-1366	1	63	)	)	PUNCT
dti-1366	1	64	.	.	PUNCT
dti-1366	2	1	drug	drug	NOUN
dti-1366	2	2	target	target	NOUN
dti-1366	2	3	insights	insight	NOUN
dti-1366	2	4	volume	volume	VERB
dti-1366	2	5	11	11	NUM
dti-1366	2	6	:	:	PUNCT
dti-1366	2	7	1–14	1–14	PROPN
dti-1366	2	8	©	©	PROPN
dti-1366	2	9	the	the	DET
dti-1366	2	10	author(s	author(s	NOUN
dti-1366	2	11	)	)	PUNCT
dti-1366	2	12	2017	2017	NUM
dti-1366	2	13	reprints	reprint	NOUN
dti-1366	2	14	and	and	CCONJ
dti-1366	2	15	permissions	permission	NOUN
dti-1366	2	16	:	:	PUNCT
dti-1366	3	1	sagepub.co.uk/journalspermissions.nav	sagepub.co.uk/journalspermissions.nav	PROPN
dti-1366	3	2	doi	doi	PROPN
dti-1366	3	3	:	:	PUNCT
dti-1366	3	4	10.1177/1177392817701726	10.1177/1177392817701726	NUM
dti-1366	3	5	introduction	introduction	NOUN
dti-1366	3	6	dengue	dengue	NOUN
dti-1366	3	7	is	be	AUX
dti-1366	3	8	a	a	DET
dti-1366	3	9	mosquito	mosquito	NOUN
dti-1366	3	10	-	-	PUNCT
dti-1366	3	11	borne	bear	VERB
dti-1366	3	12	infection	infection	NOUN
dti-1366	3	13	found	find	VERB
dti-1366	3	14	in	in	ADP
dti-1366	3	15	the	the	DET
dti-1366	3	16	tropical	tropical	ADJ
dti-1366	3	17	and	and	CCONJ
dti-1366	3	18	subtropical	subtropical	ADJ
dti-1366	3	19	regions	region	NOUN
dti-1366	3	20	.	.	PUNCT
dti-1366	4	1	in	in	ADP
dti-1366	4	2	recent	recent	ADJ
dti-1366	4	3	years	year	NOUN
dti-1366	4	4	,	,	PUNCT
dti-1366	4	5	the	the	DET
dti-1366	4	6	transmission	transmission	NOUN
dti-1366	4	7	has	have	AUX
dti-1366	4	8	increased	increase	VERB
dti-1366	4	9	in	in	ADP
dti-1366	4	10	urban	urban	ADJ
dti-1366	4	11	and	and	CCONJ
dti-1366	4	12	semiurban	semiurban	ADJ
dti-1366	4	13	areas	area	NOUN
dti-1366	4	14	and	and	CCONJ
dti-1366	4	15	has	have	AUX
dti-1366	4	16	become	become	VERB
dti-1366	4	17	a	a	DET
dti-1366	4	18	major	major	ADJ
dti-1366	4	19	health	health	NOUN
dti-1366	4	20	problem	problem	NOUN
dti-1366	4	21	of	of	ADP
dti-1366	4	22	the	the	DET
dti-1366	4	23	international	international	ADJ
dti-1366	4	24	community	community	NOUN
dti-1366	4	25	.	.	PUNCT
dti-1366	5	1	approximately	approximately	ADV
dti-1366	5	2	2.5	2.5	NUM
dti-1366	5	3	billion	billion	NUM
dti-1366	5	4	people	people	NOUN
dti-1366	5	5	are	be	AUX
dti-1366	5	6	at	at	ADP
dti-1366	5	7	risk	risk	NOUN
dti-1366	5	8	of	of	ADP
dti-1366	5	9	infection	infection	NOUN
dti-1366	5	10	,	,	PUNCT
dti-1366	5	11	of	of	ADP
dti-1366	5	12	which	which	PRON
dti-1366	5	13	almost	almost	ADV
dti-1366	5	14	40	40	NUM
dti-1366	5	15	%	%	NOUN
dti-1366	5	16	of	of	ADP
dti-1366	5	17	them	they	PRON
dti-1366	5	18	live	live	VERB
dti-1366	5	19	in	in	ADP
dti-1366	5	20	tropical	tropical	ADJ
dti-1366	5	21	or	or	CCONJ
dti-1366	5	22	subtropical	subtropical	ADJ
dti-1366	5	23	countries	country	NOUN
dti-1366	5	24	such	such	ADJ
dti-1366	5	25	as	as	ADP
dti-1366	5	26	africa	africa	PROPN
dti-1366	5	27	,	,	PUNCT
dti-1366	5	28	southeast	southeast	PROPN
dti-1366	5	29	asia	asia	PROPN
dti-1366	5	30	,	,	PUNCT
dti-1366	5	31	the	the	DET
dti-1366	5	32	americas	america	NOUN
dti-1366	5	33	,	,	PUNCT
dti-1366	5	34	and	and	CCONJ
dti-1366	5	35	the	the	DET
dti-1366	5	36	pacific.1–3	pacific.1–3	NOUN
dti-1366	5	37	this	this	DET
dti-1366	5	38	disease	disease	NOUN
dti-1366	5	39	is	be	AUX
dti-1366	5	40	caused	cause	VERB
dti-1366	5	41	by	by	ADP
dti-1366	5	42	dengue	dengue	NOUN
dti-1366	5	43	virus	virus	NOUN
dti-1366	5	44	(	(	PUNCT
dti-1366	5	45	denv	denv	NOUN
dti-1366	5	46	)	)	PUNCT
dti-1366	5	47	vector	vector	NOUN
dti-1366	5	48	or	or	CCONJ
dti-1366	5	49	carrier	carrier	NOUN
dti-1366	5	50	through	through	ADP
dti-1366	5	51	female	female	ADJ
dti-1366	5	52	aedes	aedes	PROPN
dti-1366	5	53	mosquitoes	mosquito	NOUN
dti-1366	5	54	,	,	PUNCT
dti-1366	5	55	such	such	ADJ
dti-1366	5	56	as	as	ADP
dti-1366	5	57	aedes	aedes	PROPN
dti-1366	5	58	albopictus	albopictus	PROPN
dti-1366	5	59	(	(	PUNCT
dti-1366	5	60	stegomyia	stegomyia	ADV
dti-1366	5	61	albopicta	albopicta	ADJ
dti-1366	5	62	)	)	PUNCT
dti-1366	5	63	and	and	CCONJ
dti-1366	5	64	aedes	aedes	PROPN
dti-1366	5	65	aegypti	aegypti	VERB
dti-1366	5	66	(	(	PUNCT
dti-1366	5	67	stegomyia	stegomyia	ADV
dti-1366	5	68	aegypti	aegypti	ADJ
dti-1366	5	69	)	)	PUNCT
dti-1366	5	70	.	.	PUNCT
dti-1366	6	1	most	most	ADJ
dti-1366	6	2	of	of	ADP
dti-1366	6	3	the	the	DET
dti-1366	6	4	denv	denv	NOUN
dti-1366	6	5	infections	infection	NOUN
dti-1366	6	6	are	be	AUX
dti-1366	6	7	asymptomatic	asymptomatic	ADJ
dti-1366	6	8	;	;	PUNCT
dti-1366	6	9	however	however	ADV
dti-1366	6	10	,	,	PUNCT
dti-1366	6	11	some	some	PRON
dti-1366	6	12	of	of	ADP
dti-1366	6	13	them	they	PRON
dti-1366	6	14	showed	show	VERB
dti-1366	6	15	symptoms	symptom	NOUN
dti-1366	6	16	of	of	ADP
dti-1366	6	17	mild	mild	ADJ
dti-1366	6	18	fever	fever	NOUN
dti-1366	6	19	,	,	PUNCT
dti-1366	6	20	which	which	PRON
dti-1366	6	21	is	be	AUX
dti-1366	6	22	also	also	ADV
dti-1366	6	23	known	know	VERB
dti-1366	6	24	as	as	ADP
dti-1366	6	25	dengue	dengue	NOUN
dti-1366	6	26	fever	fever	NOUN
dti-1366	6	27	(	(	PUNCT
dti-1366	6	28	df	df	PROPN
dti-1366	6	29	)	)	PUNCT
dti-1366	6	30	,	,	PUNCT
dti-1366	6	31	whereas	whereas	SCONJ
dti-1366	6	32	few	few	ADJ
dti-1366	6	33	patients	patient	NOUN
dti-1366	6	34	showed	show	VERB
dti-1366	6	35	more	more	ADJ
dti-1366	6	36	acute	acute	ADJ
dti-1366	6	37	severity	severity	NOUN
dti-1366	6	38	,	,	PUNCT
dti-1366	6	39	such	such	ADJ
dti-1366	6	40	as	as	ADP
dti-1366	6	41	thrombocytopenia	thrombocytopenia	PROPN
dti-1366	6	42	and	and	CCONJ
dti-1366	6	43	ruptured	rupture	VERB
dti-1366	6	44	blood	blood	NOUN
dti-1366	6	45	capillaries	capillary	NOUN
dti-1366	6	46	,	,	PUNCT
dti-1366	6	47	which	which	PRON
dti-1366	6	48	is	be	AUX
dti-1366	6	49	commonly	commonly	ADV
dti-1366	6	50	called	call	VERB
dti-1366	6	51	dengue	dengue	NOUN
dti-1366	6	52	hemorrhagic	hemorrhagic	NOUN
dti-1366	6	53	fever	fever	NOUN
dti-1366	6	54	.	.	PUNCT
dti-1366	7	1	in	in	ADP
dti-1366	7	2	less	less	ADV
dti-1366	7	3	severe	severe	ADJ
dti-1366	7	4	cases	case	NOUN
dti-1366	7	5	,	,	PUNCT
dti-1366	7	6	patients	patient	NOUN
dti-1366	7	7	may	may	AUX
dti-1366	7	8	experience	experience	VERB
dti-1366	7	9	shock	shock	NOUN
dti-1366	7	10	hypovolemia	hypovolemia	NOUN
dti-1366	7	11	,	,	PUNCT
dti-1366	7	12	often	often	ADV
dti-1366	7	13	called	call	VERB
dti-1366	7	14	dengue	dengue	NOUN
dti-1366	7	15	shock	shock	NOUN
dti-1366	7	16	syndrome	syndrome	NOUN
dti-1366	7	17	,	,	PUNCT
dti-1366	7	18	with	with	ADP
dti-1366	7	19	the	the	DET
dti-1366	7	20	level	level	NOUN
dti-1366	7	21	of	of	ADP
dti-1366	7	22	mortality	mortality	NOUN
dti-1366	7	23	being	be	AUX
dti-1366	7	24	5	5	NUM
dti-1366	7	25	%	%	NOUN
dti-1366	7	26	to	to	PART
dti-1366	7	27	10	10	NUM
dti-1366	7	28	%	%	NOUN
dti-1366	7	29	per	per	ADP
dti-1366	7	30	case.4	case.4	ADV
dti-1366	7	31	although	although	SCONJ
dti-1366	7	32	most	most	ADJ
dti-1366	7	33	people	people	NOUN
dti-1366	7	34	could	could	AUX
dti-1366	7	35	recover	recover	VERB
dti-1366	7	36	from	from	ADP
dti-1366	7	37	this	this	DET
dti-1366	7	38	disease	disease	NOUN
dti-1366	7	39	within	within	ADP
dti-1366	7	40	a	a	DET
dti-1366	7	41	period	period	NOUN
dti-1366	7	42	of	of	ADP
dti-1366	7	43	2	2	NUM
dti-1366	7	44	to	to	PART
dti-1366	7	45	3	3	NUM
dti-1366	7	46	weeks	week	NOUN
dti-1366	7	47	,	,	PUNCT
dti-1366	7	48	there	there	PRON
dti-1366	7	49	are	be	VERB
dti-1366	7	50	neither	neither	CCONJ
dti-1366	7	51	specific	specific	ADJ
dti-1366	7	52	treatments	treatment	NOUN
dti-1366	7	53	nor	nor	CCONJ
dti-1366	7	54	available	available	ADJ
dti-1366	7	55	drugs	drug	NOUN
dti-1366	7	56	for	for	ADP
dti-1366	7	57	df	df	NOUN
dti-1366	7	58	disease	disease	NOUN
dti-1366	7	59	until	until	ADP
dti-1366	7	60	now	now	ADV
dti-1366	7	61	.	.	PUNCT
dti-1366	8	1	dengue	dengue	NOUN
dti-1366	8	2	virus	virus	PROPN
dti-1366	8	3	is	be	AUX
dti-1366	8	4	a	a	DET
dti-1366	8	5	single	single	ADJ
dti-1366	8	6	-	-	PUNCT
dti-1366	8	7	stranded	strand	VERB
dti-1366	8	8	rna	rna	NOUN
dti-1366	8	9	virus	virus	NOUN
dti-1366	8	10	which	which	PRON
dti-1366	8	11	belongs	belong	VERB
dti-1366	8	12	to	to	ADP
dti-1366	8	13	the	the	DET
dti-1366	8	14	flavivirus	flavivirus	PROPN
dti-1366	8	15	genus	genus	NOUN
dti-1366	8	16	within	within	ADP
dti-1366	8	17	the	the	DET
dti-1366	8	18	flaviviridae	flaviviridae	NOUN
dti-1366	8	19	family	family	NOUN
dti-1366	8	20	,	,	PUNCT
dti-1366	8	21	which	which	PRON
dti-1366	8	22	also	also	ADV
dti-1366	8	23	consists	consist	VERB
dti-1366	8	24	of	of	ADP
dti-1366	8	25	several	several	ADJ
dti-1366	8	26	other	other	ADJ
dti-1366	8	27	pathogenic	pathogenic	ADJ
dti-1366	8	28	viruses	virus	NOUN
dti-1366	8	29	such	such	ADJ
dti-1366	8	30	as	as	ADP
dti-1366	8	31	west	west	PROPN
dti-1366	8	32	nile	nile	PROPN
dti-1366	8	33	virus	virus	PROPN
dti-1366	8	34	,	,	PUNCT
dti-1366	8	35	tick	tick	NOUN
dti-1366	8	36	-	-	PUNCT
dti-1366	8	37	borne	bear	VERB
dti-1366	8	38	encephalitis	encephalitis	ADJ
dti-1366	8	39	virus	virus	NOUN
dti-1366	8	40	,	,	PUNCT
dti-1366	8	41	and	and	CCONJ
dti-1366	8	42	yellow	yellow	ADJ
dti-1366	8	43	fever	fever	NOUN
dti-1366	8	44	virus.3,5,6	virus.3,5,6	NOUN
dti-1366	8	45	it	it	PRON
dti-1366	8	46	is	be	AUX
dti-1366	8	47	composed	compose	VERB
dti-1366	8	48	of	of	ADP
dti-1366	8	49	5	5	NUM
dti-1366	8	50	serotypes	serotype	NOUN
dti-1366	8	51	,	,	PUNCT
dti-1366	8	52	namely	namely	ADV
dti-1366	8	53	,	,	PUNCT
dti-1366	8	54	denv-1	denv-1	PROPN
dti-1366	8	55	,	,	PUNCT
dti-1366	8	56	denv-2	denv-2	PROPN
dti-1366	8	57	,	,	PUNCT
dti-1366	8	58	denv-3	denv-3	NOUN
dti-1366	8	59	,	,	PUNCT
dti-1366	8	60	denv-4	denv-4	NOUN
dti-1366	8	61	,	,	PUNCT
dti-1366	8	62	and	and	CCONJ
dti-1366	8	63	denv-5.7–10	denv-5.7–10	VERB
dti-1366	8	64	this	this	DET
dti-1366	8	65	virus	virus	NOUN
dti-1366	8	66	consists	consist	VERB
dti-1366	8	67	of	of	ADP
dti-1366	8	68	3	3	NUM
dti-1366	8	69	structural	structural	ADJ
dti-1366	8	70	and	and	CCONJ
dti-1366	8	71	7	7	NUM
dti-1366	8	72	nonstructural	nonstructural	ADJ
dti-1366	8	73	(	(	PUNCT
dti-1366	8	74	ns	ns	ADJ
dti-1366	8	75	)	)	PUNCT
dti-1366	8	76	proteins	protein	NOUN
dti-1366	8	77	.	.	PUNCT
dti-1366	9	1	the	the	DET
dti-1366	9	2	structural	structural	ADJ
dti-1366	9	3	proteins	protein	NOUN
dti-1366	9	4	comprise	comprise	VERB
dti-1366	9	5	envelope	envelope	NOUN
dti-1366	9	6	protein	protein	NOUN
dti-1366	9	7	(	(	PUNCT
dti-1366	9	8	e	e	NOUN
dti-1366	9	9	)	)	PUNCT
dti-1366	9	10	,	,	PUNCT
dti-1366	9	11	protein	protein	NOUN
dti-1366	9	12	premembrane	premembrane	NOUN
dti-1366	9	13	(	(	PUNCT
dti-1366	9	14	prm	prm	PROPN
dti-1366	9	15	)	)	PUNCT
dti-1366	9	16	,	,	PUNCT
dti-1366	9	17	and	and	CCONJ
dti-1366	9	18	protein	protein	NOUN
dti-1366	9	19	core	core	NOUN
dti-1366	9	20	/	/	SYM
dti-1366	9	21	capsid	capsid	NOUN
dti-1366	9	22	(	(	PUNCT
dti-1366	9	23	c	c	NOUN
dti-1366	9	24	)	)	PUNCT
dti-1366	9	25	,	,	PUNCT
dti-1366	9	26	whereas	whereas	SCONJ
dti-1366	9	27	the	the	DET
dti-1366	9	28	ns	ns	NUM
dti-1366	9	29	modification	modification	NOUN
dti-1366	9	30	of	of	ADP
dti-1366	9	31	s	s	NOUN
dti-1366	9	32	-	-	PUNCT
dti-1366	9	33	adenosyl	adenosyl	ADJ
dti-1366	9	34	-	-	PUNCT
dti-1366	9	35	l	l	NOUN
dti-1366	9	36	-	-	NOUN
dti-1366	9	37	homocysteine	homocysteine	NOUN
dti-1366	9	38	as	as	ADP
dti-1366	9	39	inhibitor	inhibitor	NOUN
dti-1366	9	40	of	of	ADP
dti-1366	9	41	nonstructural	nonstructural	ADJ
dti-1366	9	42	protein	protein	NOUN
dti-1366	9	43	5	5	NUM
dti-1366	9	44	methyltransferase	methyltransferase	NOUN
dti-1366	9	45	dengue	dengue	NOUN
dti-1366	9	46	virus	virus	NOUN
dti-1366	9	47	through	through	ADP
dti-1366	9	48	molecular	molecular	ADJ
dti-1366	9	49	docking	docking	NOUN
dti-1366	9	50	and	and	CCONJ
dti-1366	9	51	molecular	molecular	ADJ
dti-1366	9	52	dynamics	dynamic	NOUN
dti-1366	9	53	simulation	simulation	NOUN
dti-1366	9	54	usman	usman	PROPN
dti-1366	9	55	sumo	sumo	PROPN
dti-1366	9	56	friend	friend	NOUN
dti-1366	9	57	tambunan1	tambunan1	ADV
dti-1366	9	58	,	,	PUNCT
dti-1366	9	59	mochammad	mochammad	PROPN
dti-1366	9	60	arfin	arfin	NOUN
dti-1366	9	61	fardiansyah	fardiansyah	PROPN
dti-1366	9	62	nasution1	nasution1	PROPN
dti-1366	9	63	,	,	PUNCT
dti-1366	9	64	fauziah	fauziah	VERB
dti-1366	9	65	azhima1	azhima1	ADJ
dti-1366	9	66	,	,	PUNCT
dti-1366	9	67	arli	arli	NOUN
dti-1366	9	68	aditya	aditya	PROPN
dti-1366	9	69	parikesit1	parikesit1	PROPN
dti-1366	9	70	,	,	PUNCT
dti-1366	9	71	erwin	erwin	PROPN
dti-1366	9	72	prasetya	prasetya	PROPN
dti-1366	9	73	toepak1	toepak1	PROPN
dti-1366	9	74	,	,	PUNCT
dti-1366	9	75	syarifuddin	syarifuddin	VERB
dti-1366	9	76	idrus2	idrus2	PROPN
dti-1366	9	77	and	and	CCONJ
dti-1366	9	78	djati	djati	PROPN
dti-1366	9	79	kerami3	kerami3	PROPN
dti-1366	9	80	1bioinformatics	1bioinformatics	PROPN
dti-1366	9	81	research	research	NOUN
dti-1366	9	82	group	group	NOUN
dti-1366	9	83	,	,	PUNCT
dti-1366	9	84	department	department	NOUN
dti-1366	9	85	of	of	ADP
dti-1366	9	86	chemistry	chemistry	NOUN
dti-1366	9	87	,	,	PUNCT
dti-1366	9	88	faculty	faculty	NOUN
dti-1366	9	89	of	of	ADP
dti-1366	9	90	mathematics	mathematic	NOUN
dti-1366	9	91	and	and	CCONJ
dti-1366	9	92	natural	natural	ADJ
dti-1366	9	93	science	science	NOUN
dti-1366	9	94	,	,	PUNCT
dti-1366	9	95	university	university	NOUN
dti-1366	9	96	of	of	ADP
dti-1366	9	97	indonesia	indonesia	PROPN
dti-1366	9	98	,	,	PUNCT
dti-1366	9	99	depok	depok	PROPN
dti-1366	9	100	,	,	PUNCT
dti-1366	9	101	indonesia	indonesia	PROPN
dti-1366	9	102	.	.	PUNCT
dti-1366	10	1	2industrial	2industrial	NUM
dti-1366	10	2	standardization	standardization	NOUN
dti-1366	10	3	laboratory	laboratory	NOUN
dti-1366	10	4	,	,	PUNCT
dti-1366	10	5	ministry	ministry	PROPN
dti-1366	10	6	of	of	ADP
dti-1366	10	7	industrial	industrial	PROPN
dti-1366	10	8	affair	affair	PROPN
dti-1366	10	9	,	,	PUNCT
dti-1366	10	10	ambon	ambon	PROPN
dti-1366	10	11	,	,	PUNCT
dti-1366	10	12	indonesia	indonesia	PROPN
dti-1366	10	13	.	.	PUNCT
dti-1366	11	1	3mathematics	3mathematics	NUM
dti-1366	11	2	computation	computation	NOUN
dti-1366	11	3	research	research	NOUN
dti-1366	11	4	group	group	NOUN
dti-1366	11	5	,	,	PUNCT
dti-1366	11	6	department	department	NOUN
dti-1366	11	7	of	of	ADP
dti-1366	11	8	mathematics	mathematic	NOUN
dti-1366	11	9	,	,	PUNCT
dti-1366	11	10	faculty	faculty	NOUN
dti-1366	11	11	of	of	ADP
dti-1366	11	12	mathematics	mathematic	NOUN
dti-1366	11	13	and	and	CCONJ
dti-1366	11	14	natural	natural	ADJ
dti-1366	11	15	science	science	NOUN
dti-1366	11	16	,	,	PUNCT
dti-1366	11	17	university	university	NOUN
dti-1366	11	18	of	of	ADP
dti-1366	11	19	indonesia	indonesia	PROPN
dti-1366	11	20	,	,	PUNCT
dti-1366	11	21	depok	depok	PROPN
dti-1366	11	22	,	,	PUNCT
dti-1366	11	23	indonesia	indonesia	PROPN
dti-1366	11	24	.	.	PUNCT
dti-1366	12	1	abstract	abstract	ADJ
dti-1366	12	2	:	:	PUNCT
dti-1366	12	3	dengue	dengue	NOUN
dti-1366	12	4	fever	fever	NOUN
dti-1366	12	5	is	be	AUX
dti-1366	12	6	still	still	ADV
dti-1366	12	7	a	a	DET
dti-1366	12	8	major	major	ADJ
dti-1366	12	9	threat	threat	NOUN
dti-1366	12	10	worldwide	worldwide	ADV
dti-1366	12	11	,	,	PUNCT
dti-1366	12	12	approximately	approximately	ADV
dti-1366	12	13	threatening	threaten	VERB
dti-1366	12	14	two	two	NUM
dti-1366	12	15	-	-	PUNCT
dti-1366	12	16	fifths	fifth	NOUN
dti-1366	12	17	of	of	ADP
dti-1366	12	18	the	the	DET
dti-1366	12	19	world	world	NOUN
dti-1366	12	20	’s	’s	PART
dti-1366	12	21	population	population	NOUN
dti-1366	12	22	in	in	ADP
dti-1366	12	23	tropical	tropical	ADJ
dti-1366	12	24	and	and	CCONJ
dti-1366	12	25	subtropical	subtropical	ADJ
dti-1366	12	26	countries	country	NOUN
dti-1366	12	27	.	.	PUNCT
dti-1366	13	1	nonstructural	nonstructural	ADJ
dti-1366	13	2	protein	protein	NOUN
dti-1366	13	3	5	5	NUM
dti-1366	13	4	(	(	PUNCT
dti-1366	13	5	ns5	ns5	NOUN
dti-1366	13	6	)	)	PUNCT
dti-1366	13	7	methyltransferase	methyltransferase	NOUN
dti-1366	13	8	enzyme	enzyme	NOUN
dti-1366	13	9	plays	play	VERB
dti-1366	13	10	a	a	DET
dti-1366	13	11	vital	vital	ADJ
dti-1366	13	12	role	role	NOUN
dti-1366	13	13	in	in	ADP
dti-1366	13	14	the	the	DET
dti-1366	13	15	process	process	NOUN
dti-1366	13	16	of	of	ADP
dti-1366	13	17	messenger	messenger	NOUN
dti-1366	13	18	rna	rna	NOUN
dti-1366	13	19	capping	capping	NOUN
dti-1366	13	20	of	of	ADP
dti-1366	13	21	dengue	dengue	NOUN
dti-1366	13	22	by	by	ADP
dti-1366	13	23	transferring	transfer	VERB
dti-1366	13	24	methyl	methyl	NOUN
dti-1366	13	25	groups	group	NOUN
dti-1366	13	26	from	from	ADP
dti-1366	13	27	s	s	NOUN
dti-1366	13	28	-	-	PUNCT
dti-1366	13	29	adenosyl	adenosyl	ADJ
dti-1366	13	30	-	-	PUNCT
dti-1366	13	31	l	l	NOUN
dti-1366	13	32	-	-	NOUN
dti-1366	13	33	methionine	methionine	NOUN
dti-1366	13	34	to	to	ADP
dti-1366	13	35	n7	n7	PROPN
dti-1366	13	36	atom	atom	NOUN
dti-1366	13	37	of	of	ADP
dti-1366	13	38	the	the	DET
dti-1366	13	39	guanine	guanine	NOUN
dti-1366	13	40	bases	basis	NOUN
dti-1366	13	41	of	of	ADP
dti-1366	13	42	rna	rna	PROPN
dti-1366	13	43	and	and	CCONJ
dti-1366	13	44	the	the	DET
dti-1366	13	45	rna	rna	NOUN
dti-1366	13	46	ribose	ribose	NOUN
dti-1366	13	47	group	group	NOUN
dti-1366	13	48	of	of	ADP
dti-1366	13	49	2′oh	2′oh	NUM
dti-1366	13	50	,	,	PUNCT
dti-1366	13	51	resulting	result	VERB
dti-1366	13	52	in	in	ADP
dti-1366	13	53	s	s	NOUN
dti-1366	13	54	-	-	PUNCT
dti-1366	13	55	adenosyl	adenosyl	ADJ
dti-1366	13	56	-	-	PUNCT
dti-1366	13	57	l	l	NOUN
dti-1366	13	58	-	-	NOUN
dti-1366	13	59	homocysteine	homocysteine	NOUN
dti-1366	13	60	(	(	PUNCT
dti-1366	13	61	sah	sah	NOUN
dti-1366	13	62	)	)	PUNCT
dti-1366	13	63	.	.	PUNCT
dti-1366	14	1	the	the	DET
dti-1366	14	2	modification	modification	NOUN
dti-1366	14	3	of	of	ADP
dti-1366	14	4	sah	sah	PROPN
dti-1366	14	5	compound	compound	PROPN
dti-1366	14	6	was	be	AUX
dti-1366	14	7	screened	screen	VERB
dti-1366	14	8	using	use	VERB
dti-1366	14	9	molecular	molecular	ADJ
dti-1366	14	10	docking	docking	NOUN
dti-1366	14	11	and	and	CCONJ
dti-1366	14	12	molecular	molecular	ADJ
dti-1366	14	13	dynamics	dynamic	NOUN
dti-1366	14	14	simulation	simulation	NOUN
dti-1366	14	15	,	,	PUNCT
dti-1366	14	16	along	along	ADP
dti-1366	14	17	with	with	ADP
dti-1366	14	18	computational	computational	ADJ
dti-1366	14	19	adme	adme	NOUN
dti-1366	14	20	-	-	PUNCT
dti-1366	14	21	tox	tox	NOUN
dti-1366	14	22	(	(	PUNCT
dti-1366	14	23	absorption	absorption	NOUN
dti-1366	14	24	,	,	PUNCT
dti-1366	14	25	distribution	distribution	NOUN
dti-1366	14	26	,	,	PUNCT
dti-1366	14	27	metabolism	metabolism	NOUN
dti-1366	14	28	,	,	PUNCT
dti-1366	14	29	excretion	excretion	NOUN
dti-1366	14	30	,	,	PUNCT
dti-1366	14	31	and	and	CCONJ
dti-1366	14	32	toxicity	toxicity	NOUN
dti-1366	14	33	)	)	PUNCT
dti-1366	14	34	test	test	NOUN
dti-1366	14	35	.	.	PUNCT
dti-1366	15	1	the	the	DET
dti-1366	15	2	2	2	NUM
dti-1366	15	3	simulations	simulation	NOUN
dti-1366	15	4	were	be	AUX
dti-1366	15	5	performed	perform	VERB
dti-1366	15	6	using	use	VERB
dti-1366	15	7	molecular	molecular	ADJ
dti-1366	15	8	operating	operate	VERB
dti-1366	15	9	environment	environment	NOUN
dti-1366	15	10	(	(	PUNCT
dti-1366	15	11	moe	moe	NOUN
dti-1366	15	12	)	)	PUNCT
dti-1366	15	13	2008.10	2008.10	NUM
dti-1366	15	14	software	software	NOUN
dti-1366	15	15	,	,	PUNCT
dti-1366	15	16	whereas	whereas	SCONJ
dti-1366	15	17	the	the	DET
dti-1366	15	18	adme	adme	NOUN
dti-1366	15	19	-	-	PUNCT
dti-1366	15	20	tox	tox	NOUN
dti-1366	15	21	test	test	NOUN
dti-1366	15	22	was	be	AUX
dti-1366	15	23	performed	perform	VERB
dti-1366	15	24	using	use	VERB
dti-1366	15	25	various	various	ADJ
dti-1366	15	26	software	software	NOUN
dti-1366	15	27	.	.	PUNCT
dti-1366	16	1	the	the	DET
dti-1366	16	2	modification	modification	NOUN
dti-1366	16	3	of	of	ADP
dti-1366	16	4	sah	sah	PROPN
dti-1366	16	5	compound	compound	PROPN
dti-1366	16	6	was	be	AUX
dti-1366	16	7	done	do	VERB
dti-1366	16	8	using	use	VERB
dti-1366	16	9	several	several	ADJ
dti-1366	16	10	functional	functional	ADJ
dti-1366	16	11	groups	group	NOUN
dti-1366	16	12	that	that	PRON
dti-1366	16	13	possess	possess	VERB
dti-1366	16	14	different	different	ADJ
dti-1366	16	15	polarities	polarity	NOUN
dti-1366	16	16	and	and	CCONJ
dti-1366	16	17	properties	property	NOUN
dti-1366	16	18	,	,	PUNCT
dti-1366	16	19	resulting	result	VERB
dti-1366	16	20	in	in	ADP
dti-1366	16	21	3460	3460	NUM
dti-1366	16	22	ligands	ligand	NOUN
dti-1366	16	23	to	to	PART
dti-1366	16	24	be	be	AUX
dti-1366	16	25	docked	dock	VERB
dti-1366	16	26	.	.	PUNCT
dti-1366	17	1	after	after	ADP
dti-1366	17	2	conducting	conduct	VERB
dti-1366	17	3	docking	docking	NOUN
dti-1366	17	4	simulation	simulation	NOUN
dti-1366	17	5	,	,	PUNCT
dti-1366	17	6	we	we	PRON
dti-1366	17	7	earned	earn	VERB
dti-1366	17	8	3	3	NUM
dti-1366	17	9	best	good	ADJ
dti-1366	17	10	ligands	ligand	NOUN
dti-1366	17	11	(	(	PUNCT
dti-1366	17	12	sah	sah	NOUN
dti-1366	17	13	-	-	PUNCT
dti-1366	17	14	m331	m331	PROPN
dti-1366	17	15	,	,	PUNCT
dti-1366	17	16	sah	sah	NOUN
dti-1366	17	17	-	-	PUNCT
dti-1366	17	18	m2696	m2696	NOUN
dti-1366	17	19	,	,	PUNCT
dti-1366	17	20	and	and	CCONJ
dti-1366	17	21	sah	sah	NOUN
dti-1366	17	22	-	-	PUNCT
dti-1366	17	23	m1356	m1356	NOUN
dti-1366	17	24	)	)	PUNCT
dti-1366	17	25	based	base	VERB
dti-1366	17	26	on	on	ADP
dti-1366	17	27	δgbinding	δgbinde	VERB
dti-1366	17	28	and	and	CCONJ
dti-1366	17	29	molecular	molecular	ADJ
dti-1366	17	30	interactions	interaction	NOUN
dti-1366	17	31	,	,	PUNCT
dti-1366	17	32	which	which	PRON
dti-1366	17	33	show	show	VERB
dti-1366	17	34	better	well	ADJ
dti-1366	17	35	results	result	NOUN
dti-1366	17	36	than	than	ADP
dti-1366	17	37	the	the	DET
dti-1366	17	38	standard	standard	ADJ
dti-1366	17	39	ligands	ligand	NOUN
dti-1366	17	40	.	.	PUNCT
dti-1366	18	1	moreover	moreover	ADV
dti-1366	18	2	,	,	PUNCT
dti-1366	18	3	the	the	DET
dti-1366	18	4	results	result	NOUN
dti-1366	18	5	of	of	ADP
dti-1366	18	6	molecular	molecular	ADJ
dti-1366	18	7	dynamics	dynamic	NOUN
dti-1366	18	8	simulation	simulation	NOUN
dti-1366	18	9	show	show	VERB
dti-1366	18	10	that	that	SCONJ
dti-1366	18	11	the	the	DET
dti-1366	18	12	best	good	ADJ
dti-1366	18	13	ligands	ligand	NOUN
dti-1366	18	14	are	be	AUX
dti-1366	18	15	still	still	ADV
dti-1366	18	16	able	able	ADJ
dti-1366	18	17	to	to	PART
dti-1366	18	18	maintain	maintain	VERB
dti-1366	18	19	the	the	DET
dti-1366	18	20	active	active	ADJ
dti-1366	18	21	site	site	NOUN
dti-1366	18	22	residue	residue	NOUN
dti-1366	18	23	interaction	interaction	NOUN
dti-1366	18	24	with	with	ADP
dti-1366	18	25	the	the	DET
dti-1366	18	26	binding	bind	VERB
dti-1366	18	27	site	site	NOUN
dti-1366	18	28	until	until	ADP
dti-1366	18	29	the	the	DET
dti-1366	18	30	end	end	NOUN
dti-1366	18	31	of	of	ADP
dti-1366	18	32	the	the	DET
dti-1366	18	33	simulation	simulation	NOUN
dti-1366	18	34	.	.	PUNCT
dti-1366	19	1	after	after	SCONJ
dti-1366	19	2	a	a	DET
dti-1366	19	3	series	series	NOUN
dti-1366	19	4	of	of	ADP
dti-1366	19	5	molecular	molecular	ADJ
dti-1366	19	6	docking	docking	NOUN
dti-1366	19	7	and	and	CCONJ
dti-1366	19	8	molecular	molecular	ADJ
dti-1366	19	9	dynamics	dynamic	NOUN
dti-1366	19	10	simulation	simulation	NOUN
dti-1366	19	11	were	be	AUX
dti-1366	19	12	performed	perform	VERB
dti-1366	19	13	,	,	PUNCT
dti-1366	19	14	we	we	PRON
dti-1366	19	15	concluded	conclude	VERB
dti-1366	19	16	that	that	SCONJ
dti-1366	19	17	sah	sah	NOUN
dti-1366	19	18	-	-	PUNCT
dti-1366	19	19	m1356	m1356	NOUN
dti-1366	19	20	ligand	ligand	NOUN
dti-1366	19	21	is	be	AUX
dti-1366	19	22	the	the	DET
dti-1366	19	23	most	most	ADV
dti-1366	19	24	potential	potential	ADJ
dti-1366	19	25	sah	sah	NOUN
dti-1366	19	26	-	-	PUNCT
dti-1366	19	27	based	base	VERB
dti-1366	19	28	compound	compound	NOUN
dti-1366	19	29	to	to	PART
dti-1366	19	30	inhibit	inhibit	VERB
dti-1366	19	31	ns5	ns5	NOUN
dti-1366	19	32	methyltransferase	methyltransferase	NOUN
dti-1366	19	33	enzyme	enzyme	NOUN
dti-1366	19	34	for	for	ADP
dti-1366	19	35	treating	treat	VERB
dti-1366	19	36	dengue	dengue	NOUN
dti-1366	19	37	fever	fever	NOUN
dti-1366	19	38	.	.	PUNCT
dti-1366	20	1	keywords	keyword	NOUN
dti-1366	20	2	:	:	PUNCT
dti-1366	20	3	s	s	X
dti-1366	20	4	-	-	PUNCT
dti-1366	20	5	adenosyl	adenosyl	ADJ
dti-1366	20	6	-	-	PUNCT
dti-1366	20	7	l	l	NOUN
dti-1366	20	8	-	-	NOUN
dti-1366	20	9	homocysteine	homocysteine	NOUN
dti-1366	20	10	(	(	PUNCT
dti-1366	20	11	sah	sah	PROPN
dti-1366	20	12	)	)	PUNCT
dti-1366	20	13	,	,	PUNCT
dti-1366	20	14	dengue	dengue	NOUN
dti-1366	20	15	virus	virus	NOUN
dti-1366	20	16	(	(	PUNCT
dti-1366	20	17	denv	denv	PROPN
dti-1366	20	18	)	)	PUNCT
dti-1366	20	19	,	,	PUNCT
dti-1366	20	20	ns5	ns5	NOUN
dti-1366	20	21	methyltransferase	methyltransferase	NOUN
dti-1366	20	22	,	,	PUNCT
dti-1366	20	23	drug	drug	NOUN
dti-1366	20	24	design	design	NOUN
dti-1366	20	25	,	,	PUNCT
dti-1366	20	26	molecular	molecular	ADJ
dti-1366	20	27	docking	docking	NOUN
dti-1366	20	28	,	,	PUNCT
dti-1366	20	29	molecular	molecular	ADJ
dti-1366	20	30	dynamics	dynamic	NOUN
dti-1366	20	31	received	receive	VERB
dti-1366	20	32	:	:	PUNCT
dti-1366	20	33	december	december	PROPN
dti-1366	20	34	7	7	NUM
dti-1366	20	35	,	,	PUNCT
dti-1366	20	36	2016	2016	NUM
dti-1366	20	37	.	.	PUNCT
dti-1366	21	1	accepted	accept	VERB
dti-1366	21	2	:	:	PUNCT
dti-1366	21	3	march	march	PROPN
dti-1366	21	4	1	1	NUM
dti-1366	21	5	,	,	PUNCT
dti-1366	21	6	2017	2017	NUM
dti-1366	21	7	.	.	PUNCT
dti-1366	22	1	peer	peer	NOUN
dti-1366	22	2	review	review	NOUN
dti-1366	22	3	:	:	PUNCT
dti-1366	22	4	six	six	NUM
dti-1366	22	5	peer	peer	NOUN
dti-1366	22	6	reviewers	reviewer	NOUN
dti-1366	22	7	contributed	contribute	VERB
dti-1366	22	8	to	to	ADP
dti-1366	22	9	the	the	DET
dti-1366	22	10	peer	peer	NOUN
dti-1366	22	11	review	review	NOUN
dti-1366	22	12	report	report	NOUN
dti-1366	22	13	.	.	PUNCT
dti-1366	23	1	reviewers	reviewer	NOUN
dti-1366	23	2	’	'	PUNCT
dti-1366	23	3	reports	report	NOUN
dti-1366	23	4	totaled	total	VERB
dti-1366	23	5	1093	1093	NUM
dti-1366	23	6	words	word	NOUN
dti-1366	23	7	,	,	PUNCT
dti-1366	23	8	excluding	exclude	VERB
dti-1366	23	9	any	any	DET
dti-1366	23	10	confidential	confidential	ADJ
dti-1366	23	11	comments	comment	NOUN
dti-1366	23	12	to	to	ADP
dti-1366	23	13	the	the	DET
dti-1366	23	14	academic	academic	ADJ
dti-1366	23	15	editor	editor	NOUN
dti-1366	23	16	.	.	PUNCT
dti-1366	24	1	type	type	NOUN
dti-1366	24	2	:	:	PUNCT
dti-1366	24	3	original	original	ADJ
dti-1366	24	4	research	research	NOUN
dti-1366	24	5	funding	funding	NOUN
dti-1366	24	6	:	:	PUNCT
dti-1366	24	7	the	the	DET
dti-1366	24	8	author(s	author(s	PROPN
dti-1366	24	9	)	)	PUNCT
dti-1366	24	10	disclosed	disclose	VERB
dti-1366	24	11	receipt	receipt	NOUN
dti-1366	24	12	of	of	ADP
dti-1366	24	13	the	the	DET
dti-1366	24	14	following	follow	VERB
dti-1366	24	15	financial	financial	ADJ
dti-1366	24	16	support	support	NOUN
dti-1366	24	17	for	for	ADP
dti-1366	24	18	the	the	DET
dti-1366	24	19	research	research	NOUN
dti-1366	24	20	,	,	PUNCT
dti-1366	24	21	authorship	authorship	NOUN
dti-1366	24	22	,	,	PUNCT
dti-1366	24	23	and/or	and/or	CCONJ
dti-1366	24	24	publication	publication	NOUN
dti-1366	24	25	of	of	ADP
dti-1366	24	26	this	this	DET
dti-1366	24	27	article	article	NOUN
dti-1366	24	28	:	:	PUNCT
dti-1366	24	29	publication	publication	NOUN
dti-1366	24	30	of	of	ADP
dti-1366	24	31	this	this	DET
dti-1366	24	32	article	article	NOUN
dti-1366	24	33	was	be	AUX
dti-1366	24	34	funded	fund	VERB
dti-1366	24	35	by	by	ADP
dti-1366	24	36	the	the	DET
dti-1366	24	37	directorate	directorate	NOUN
dti-1366	24	38	of	of	ADP
dti-1366	24	39	research	research	NOUN
dti-1366	24	40	and	and	CCONJ
dti-1366	24	41	community	community	NOUN
dti-1366	24	42	engagement	engagement	NOUN
dti-1366	24	43	of	of	ADP
dti-1366	24	44	universitas	universita	NOUN
dti-1366	24	45	indonesia	indonesia	PROPN
dti-1366	24	46	(	(	PUNCT
dti-1366	24	47	drpm	drpm	PROPN
dti-1366	24	48	ui	ui	NOUN
dti-1366	24	49	)	)	PUNCT
dti-1366	24	50	through	through	ADP
dti-1366	24	51	penelitian	penelitian	PROPN
dti-1366	24	52	unggulan	unggulan	PROPN
dti-1366	24	53	perguruan	perguruan	PROPN
dti-1366	24	54	tinggi	tinggi	PROPN
dti-1366	24	55	(	(	PUNCT
dti-1366	24	56	pupt	pupt	ADJ
dti-1366	24	57	)	)	PUNCT
dti-1366	24	58	2016	2016	NUM
dti-1366	24	59	(	(	PUNCT
dti-1366	24	60	grant	grant	NOUN
dti-1366	24	61	number	number	NOUN
dti-1366	24	62	:	:	PUNCT
dti-1366	24	63	1713	1713	NUM
dti-1366	24	64	/	/	SYM
dti-1366	24	65	un2.r12	un2.r12	NOUN
dti-1366	24	66	/	/	SYM
dti-1366	24	67	hkp.05.00/2016	hkp.05.00/2016	PROPN
dti-1366	24	68	)	)	PUNCT
dti-1366	24	69	.	.	PUNCT
dti-1366	25	1	declaration	declaration	NOUN
dti-1366	25	2	of	of	ADP
dti-1366	25	3	conflicting	conflicting	ADJ
dti-1366	25	4	interests	interest	NOUN
dti-1366	25	5	:	:	PUNCT
dti-1366	25	6	the	the	DET
dti-1366	25	7	author(s	author(s	NOUN
dti-1366	25	8	)	)	PUNCT
dti-1366	25	9	declared	declare	VERB
dti-1366	25	10	no	no	DET
dti-1366	25	11	potential	potential	ADJ
dti-1366	25	12	conflicts	conflict	NOUN
dti-1366	25	13	of	of	ADP
dti-1366	25	14	interest	interest	NOUN
dti-1366	25	15	with	with	ADP
dti-1366	25	16	respect	respect	NOUN
dti-1366	25	17	to	to	ADP
dti-1366	25	18	the	the	DET
dti-1366	25	19	research	research	NOUN
dti-1366	25	20	,	,	PUNCT
dti-1366	25	21	authorship	authorship	NOUN
dti-1366	25	22	,	,	PUNCT
dti-1366	25	23	and/or	and/or	CCONJ
dti-1366	25	24	publication	publication	NOUN
dti-1366	25	25	of	of	ADP
dti-1366	25	26	this	this	DET
dti-1366	25	27	article	article	NOUN
dti-1366	25	28	.	.	PUNCT
dti-1366	26	1	corresponding	correspond	VERB
dti-1366	26	2	author	author	NOUN
dti-1366	26	3	:	:	PUNCT
dti-1366	26	4	usman	usman	PROPN
dti-1366	26	5	sumo	sumo	PROPN
dti-1366	26	6	friend	friend	PROPN
dti-1366	26	7	tambunan	tambunan	PROPN
dti-1366	26	8	,	,	PUNCT
dti-1366	26	9	bioinformatics	bioinformatics	NOUN
dti-1366	26	10	research	research	NOUN
dti-1366	26	11	group	group	NOUN
dti-1366	26	12	,	,	PUNCT
dti-1366	26	13	department	department	NOUN
dti-1366	26	14	of	of	ADP
dti-1366	26	15	chemistry	chemistry	NOUN
dti-1366	26	16	,	,	PUNCT
dti-1366	26	17	faculty	faculty	NOUN
dti-1366	26	18	of	of	ADP
dti-1366	26	19	mathematics	mathematic	NOUN
dti-1366	26	20	and	and	CCONJ
dti-1366	26	21	natural	natural	ADJ
dti-1366	26	22	science	science	NOUN
dti-1366	26	23	,	,	PUNCT
dti-1366	26	24	university	university	NOUN
dti-1366	26	25	of	of	ADP
dti-1366	26	26	indonesia	indonesia	PROPN
dti-1366	26	27	,	,	PUNCT
dti-1366	26	28	16424	16424	NUM
dti-1366	26	29	depok	depok	PROPN
dti-1366	26	30	,	,	PUNCT
dti-1366	26	31	indonesia	indonesia	PROPN
dti-1366	26	32	.	.	PUNCT
dti-1366	27	1	email	email	NOUN
dti-1366	27	2	:	:	PUNCT
dti-1366	27	3	usman@ui.ac.id	usman@ui.ac.id	PROPN
dti-1366	27	4	701726	701726	NUM
dti-1366	27	5	dti0010.1177/1177392817701726drug	dti0010.1177/1177392817701726drug	NOUN
dti-1366	27	6	target	target	NOUN
dti-1366	27	7	insightstambunan	insightstambunan	NOUN
dti-1366	27	8	et	et	PROPN
dti-1366	27	9	al	al	PROPN
dti-1366	27	10	research	research	PROPN
dti-1366	27	11	-	-	PUNCT
dti-1366	27	12	article2017	article2017	PRON
dti-1366	27	13	http://www.creativecommons.org/licenses/by-nc/4.0/	http://www.creativecommons.org/licenses/by-nc/4.0/	PROPN
dti-1366	27	14	https://uk.sagepub.com/en-gb/journals-permissions	https://uk.sagepub.com/en-gb/journals-permission	NOUN
dti-1366	27	15	mailto:usman@ui.ac.id	mailto:usman@ui.ac.id	PROPN
dti-1366	27	16	2	2	NUM
dti-1366	27	17	drug	drug	NOUN
dti-1366	27	18	target	target	NOUN
dti-1366	27	19	insights	insight	NOUN
dti-1366	27	20	protein	protein	NOUN
dti-1366	27	21	consists	consist	VERB
dti-1366	27	22	of	of	ADP
dti-1366	27	23	ns1	ns1	NOUN
dti-1366	27	24	,	,	PUNCT
dti-1366	27	25	ns2a	ns2a	NOUN
dti-1366	27	26	,	,	PUNCT
dti-1366	27	27	ns2b	ns2b	NOUN
dti-1366	27	28	,	,	PUNCT
dti-1366	27	29	ns3	ns3	NOUN
dti-1366	27	30	,	,	PUNCT
dti-1366	27	31	ns4a	ns4a	NOUN
dti-1366	27	32	,	,	PUNCT
dti-1366	27	33	ns4b	ns4b	NOUN
dti-1366	27	34	,	,	PUNCT
dti-1366	27	35	and	and	CCONJ
dti-1366	27	36	ns5	ns5	PROPN
dti-1366	27	37	.	.	PUNCT
dti-1366	28	1	the	the	DET
dti-1366	28	2	order	order	NOUN
dti-1366	28	3	of	of	ADP
dti-1366	28	4	the	the	DET
dti-1366	28	5	highest	high	ADJ
dti-1366	28	6	immunogenicity	immunogenicity	NOUN
dti-1366	28	7	to	to	PART
dti-1366	28	8	stimulate	stimulate	VERB
dti-1366	28	9	antibody	antibody	NOUN
dti-1366	28	10	production	production	NOUN
dti-1366	28	11	among	among	ADP
dti-1366	28	12	structural	structural	ADJ
dti-1366	28	13	protein	protein	NOUN
dti-1366	28	14	is	be	AUX
dti-1366	28	15	protein	protein	NOUN
dti-1366	28	16	e	e	NOUN
dti-1366	28	17	,	,	PUNCT
dti-1366	28	18	followed	follow	VERB
dti-1366	28	19	by	by	ADP
dti-1366	28	20	protein	protein	NOUN
dti-1366	28	21	prm	prm	PROPN
dti-1366	28	22	and	and	CCONJ
dti-1366	28	23	c.	c.	PROPN
dti-1366	28	24	nonstructural	nonstructural	ADJ
dti-1366	28	25	enzymes	enzyme	NOUN
dti-1366	28	26	such	such	ADJ
dti-1366	28	27	as	as	ADP
dti-1366	28	28	ns3	ns3	NOUN
dti-1366	28	29	protease	protease	NOUN
dti-1366	28	30	with	with	ADP
dti-1366	28	31	cofactor	cofactor	NOUN
dti-1366	28	32	ns2b	ns2b	PROPN
dti-1366	28	33	,	,	PUNCT
dti-1366	28	34	ns3	ns3	NOUN
dti-1366	28	35	helicase	helicase	NOUN
dti-1366	28	36	/	/	SYM
dti-1366	28	37	nucleoside	nucleoside	NOUN
dti-1366	28	38	triphosphatase	triphosphatase	NOUN
dti-1366	28	39	/	/	SYM
dti-1366	28	40	rna	rna	PROPN
dti-1366	28	41	5′	5′	PROPN
dti-1366	28	42	triphosphatase	triphosphatase	NOUN
dti-1366	28	43	,	,	PUNCT
dti-1366	28	44	ns5	ns5	NOUN
dti-1366	28	45	methyltransferase	methyltransferase	NOUN
dti-1366	28	46	,	,	PUNCT
dti-1366	28	47	and	and	CCONJ
dti-1366	28	48	ns5	ns5	PROPN
dti-1366	28	49	rna	rna	PROPN
dti-1366	28	50	–	–	PUNCT
dti-1366	28	51	dependent	dependent	ADJ
dti-1366	28	52	rna	rna	NOUN
dti-1366	28	53	polymerase	polymerase	NOUN
dti-1366	28	54	are	be	AUX
dti-1366	28	55	known	know	VERB
dti-1366	28	56	to	to	PART
dti-1366	28	57	have	have	VERB
dti-1366	28	58	an	an	DET
dti-1366	28	59	imperative	imperative	ADJ
dti-1366	28	60	role	role	NOUN
dti-1366	28	61	in	in	ADP
dti-1366	28	62	the	the	DET
dti-1366	28	63	replication	replication	NOUN
dti-1366	28	64	of	of	ADP
dti-1366	28	65	denv.11,12	denv.11,12	ADJ
dti-1366	28	66	the	the	DET
dti-1366	28	67	ns5	ns5	NOUN
dti-1366	28	68	protein	protein	NOUN
dti-1366	28	69	,	,	PUNCT
dti-1366	28	70	which	which	PRON
dti-1366	28	71	is	be	AUX
dti-1366	28	72	known	know	VERB
dti-1366	28	73	as	as	ADP
dti-1366	28	74	the	the	DET
dti-1366	28	75	largest	large	ADJ
dti-1366	28	76	protein	protein	NOUN
dti-1366	28	77	encoded	encode	VERB
dti-1366	28	78	by	by	ADP
dti-1366	28	79	the	the	DET
dti-1366	28	80	flavivirus	flavivirus	PROPN
dti-1366	28	81	genome	genome	NOUN
dti-1366	28	82	(	(	PUNCT
dti-1366	28	83	contains	contain	VERB
dti-1366	28	84	a	a	DET
dti-1366	28	85	total	total	NOUN
dti-1366	28	86	of	of	ADP
dti-1366	28	87	900	900	NUM
dti-1366	28	88	amino	amino	NOUN
dti-1366	28	89	acid	acid	NOUN
dti-1366	28	90	residues	residue	NOUN
dti-1366	28	91	)	)	PUNCT
dti-1366	28	92	,	,	PUNCT
dti-1366	28	93	plays	play	VERB
dti-1366	28	94	a	a	DET
dti-1366	28	95	crucial	crucial	ADJ
dti-1366	28	96	role	role	NOUN
dti-1366	28	97	in	in	ADP
dti-1366	28	98	the	the	DET
dti-1366	28	99	replication	replication	NOUN
dti-1366	28	100	process	process	NOUN
dti-1366	28	101	of	of	ADP
dti-1366	28	102	viral	viral	ADJ
dti-1366	28	103	life	life	NOUN
dti-1366	28	104	cycle.13,14	cycle.13,14	ADV
dti-1366	28	105	this	this	DET
dti-1366	28	106	protein	protein	NOUN
dti-1366	28	107	possessed	possess	VERB
dti-1366	28	108	3	3	NUM
dti-1366	28	109	conserved	conserve	VERB
dti-1366	28	110	binding	bind	VERB
dti-1366	28	111	sites	site	NOUN
dti-1366	28	112	:	:	PUNCT
dti-1366	28	113	s	s	X
dti-1366	28	114	-	-	PUNCT
dti-1366	28	115	adenosylmethionine	adenosylmethionine	NOUN
dti-1366	28	116	(	(	PUNCT
dti-1366	28	117	sam)/s	sam)/s	ADJ
dti-1366	28	118	-	-	PUNCT
dti-1366	28	119	adenosyl	adenosyl	ADJ
dti-1366	28	120	-	-	PUNCT
dti-1366	28	121	lhomocysteine	lhomocysteine	NOUN
dti-1366	28	122	(	(	PUNCT
dti-1366	28	123	sah	sah	NOUN
dti-1366	28	124	)	)	PUNCT
dti-1366	28	125	binding	bind	VERB
dti-1366	28	126	site	site	NOUN
dti-1366	28	127	,	,	PUNCT
dti-1366	28	128	guanosine	guanosine	NOUN
dti-1366	28	129	triphosphate	triphosphate	NOUN
dti-1366	28	130	–	–	PUNCT
dti-1366	28	131	binding	bind	VERB
dti-1366	28	132	site	site	NOUN
dti-1366	28	133	,	,	PUNCT
dti-1366	28	134	and	and	CCONJ
dti-1366	28	135	rna	rna	NOUN
dti-1366	28	136	-	-	PUNCT
dti-1366	28	137	binding	bind	VERB
dti-1366	28	138	site.15	site.15	NOUN
dti-1366	28	139	the	the	DET
dti-1366	28	140	ns5	ns5	NOUN
dti-1366	28	141	protein	protein	NOUN
dti-1366	28	142	is	be	AUX
dti-1366	28	143	responsible	responsible	ADJ
dti-1366	28	144	for	for	ADP
dti-1366	28	145	2	2	NUM
dti-1366	28	146	methylation	methylation	NOUN
dti-1366	28	147	activities	activity	NOUN
dti-1366	28	148	:	:	PUNCT
dti-1366	28	149	guanine	guanine	PROPN
dti-1366	28	150	n7	n7	PROPN
dti-1366	28	151	and	and	CCONJ
dti-1366	28	152	nucleoside	nucleoside	VERB
dti-1366	28	153	2′-o	2′-o	NUM
dti-1366	28	154	-	-	PUNCT
dti-1366	28	155	methylation	methylation	NOUN
dti-1366	28	156	,	,	PUNCT
dti-1366	28	157	with	with	ADP
dti-1366	28	158	the	the	DET
dti-1366	28	159	former	former	ADJ
dti-1366	28	160	occurring	occur	VERB
dti-1366	28	161	before	before	ADP
dti-1366	28	162	the	the	DET
dti-1366	28	163	latter	latter	ADJ
dti-1366	28	164	.	.	PUNCT
dti-1366	29	1	these	these	DET
dti-1366	29	2	processes	process	NOUN
dti-1366	29	3	convert	convert	VERB
dti-1366	29	4	sam	sam	PROPN
dti-1366	29	5	,	,	PUNCT
dti-1366	29	6	which	which	PRON
dti-1366	29	7	acts	act	VERB
dti-1366	29	8	as	as	ADP
dti-1366	29	9	the	the	DET
dti-1366	29	10	methyl	methyl	NOUN
dti-1366	29	11	donor	donor	NOUN
dti-1366	29	12	in	in	ADP
dti-1366	29	13	both	both	DET
dti-1366	29	14	processes	process	NOUN
dti-1366	29	15	,	,	PUNCT
dti-1366	29	16	into	into	ADP
dti-1366	29	17	sah.16,17	sah.16,17	ADJ
dti-1366	29	18	recent	recent	ADJ
dti-1366	29	19	studies	study	NOUN
dti-1366	29	20	found	find	VERB
dti-1366	29	21	that	that	SCONJ
dti-1366	29	22	the	the	DET
dti-1366	29	23	inhibition	inhibition	NOUN
dti-1366	29	24	of	of	ADP
dti-1366	29	25	n7	n7	PROPN
dti-1366	29	26	methylation	methylation	NOUN
dti-1366	29	27	is	be	AUX
dti-1366	29	28	more	more	ADV
dti-1366	29	29	lethal	lethal	ADJ
dti-1366	29	30	to	to	PART
dti-1366	29	31	denv	denv	VERB
dti-1366	29	32	than	than	ADP
dti-1366	29	33	2′-o	2′-o	NUM
dti-1366	29	34	-	-	PUNCT
dti-1366	29	35	methylation	methylation	NOUN
dti-1366	29	36	,	,	PUNCT
dti-1366	29	37	as	as	SCONJ
dti-1366	29	38	inhibition	inhibition	NOUN
dti-1366	29	39	of	of	ADP
dti-1366	29	40	n7	n7	PROPN
dti-1366	29	41	methylation	methylation	NOUN
dti-1366	29	42	can	can	AUX
dti-1366	29	43	greatly	greatly	ADV
dti-1366	29	44	reduce	reduce	VERB
dti-1366	29	45	the	the	DET
dti-1366	29	46	replication	replication	NOUN
dti-1366	29	47	activity	activity	NOUN
dti-1366	29	48	of	of	ADP
dti-1366	29	49	denv.18	denv.18	PROPN
dti-1366	29	50	therefore	therefore	ADV
dti-1366	29	51	,	,	PUNCT
dti-1366	29	52	the	the	DET
dti-1366	29	53	inhibition	inhibition	NOUN
dti-1366	29	54	of	of	ADP
dti-1366	29	55	n7	n7	PROPN
dti-1366	29	56	methylation	methylation	NOUN
dti-1366	29	57	process	process	NOUN
dti-1366	29	58	,	,	PUNCT
dti-1366	29	59	which	which	PRON
dti-1366	29	60	can	can	AUX
dti-1366	29	61	be	be	AUX
dti-1366	29	62	induced	induce	VERB
dti-1366	29	63	by	by	ADP
dti-1366	29	64	targeting	target	VERB
dti-1366	29	65	the	the	DET
dti-1366	29	66	sam	sam	PROPN
dti-1366	29	67	/	/	SYM
dti-1366	29	68	sah	sah	NOUN
dti-1366	29	69	-	-	PUNCT
dti-1366	29	70	binding	bind	VERB
dti-1366	29	71	site	site	NOUN
dti-1366	29	72	of	of	ADP
dti-1366	29	73	ns5	ns5	NOUN
dti-1366	29	74	methyltransferase	methyltransferase	NOUN
dti-1366	29	75	,	,	PUNCT
dti-1366	29	76	can	can	AUX
dti-1366	29	77	become	become	VERB
dti-1366	29	78	a	a	DET
dti-1366	29	79	promising	promising	ADJ
dti-1366	29	80	target	target	NOUN
dti-1366	29	81	for	for	ADP
dti-1366	29	82	the	the	DET
dti-1366	29	83	discovery	discovery	NOUN
dti-1366	29	84	of	of	ADP
dti-1366	29	85	new	new	ADJ
dti-1366	29	86	denv	denv	NOUN
dti-1366	29	87	drugs	drug	NOUN
dti-1366	29	88	.	.	PUNCT
dti-1366	30	1	drug	drug	NOUN
dti-1366	30	2	design	design	NOUN
dti-1366	30	3	and	and	CCONJ
dti-1366	30	4	discovery	discovery	NOUN
dti-1366	30	5	is	be	AUX
dti-1366	30	6	a	a	DET
dti-1366	30	7	process	process	NOUN
dti-1366	30	8	that	that	PRON
dti-1366	30	9	involves	involve	VERB
dti-1366	30	10	many	many	ADJ
dti-1366	30	11	disciplines	discipline	NOUN
dti-1366	30	12	,	,	PUNCT
dti-1366	30	13	such	such	ADJ
dti-1366	30	14	as	as	ADP
dti-1366	30	15	medicinal	medicinal	ADJ
dti-1366	30	16	chemistry	chemistry	NOUN
dti-1366	30	17	,	,	PUNCT
dti-1366	30	18	pharmacology	pharmacology	NOUN
dti-1366	30	19	,	,	PUNCT
dti-1366	30	20	biochemistry	biochemistry	NOUN
dti-1366	30	21	,	,	PUNCT
dti-1366	30	22	and	and	CCONJ
dti-1366	30	23	computational	computational	ADJ
dti-1366	30	24	biology	biology	NOUN
dti-1366	30	25	.	.	PUNCT
dti-1366	31	1	previously	previously	ADV
dti-1366	31	2	,	,	PUNCT
dti-1366	31	3	researchers	researcher	NOUN
dti-1366	31	4	conducted	conduct	VERB
dti-1366	31	5	a	a	DET
dti-1366	31	6	trial	trial	NOUN
dti-1366	31	7	-	-	PUNCT
dti-1366	31	8	and	and	CCONJ
dti-1366	31	9	-	-	PUNCT
dti-1366	31	10	error	error	NOUN
dti-1366	31	11	method	method	NOUN
dti-1366	31	12	to	to	PART
dti-1366	31	13	find	find	VERB
dti-1366	31	14	compounds	compound	NOUN
dti-1366	31	15	that	that	PRON
dti-1366	31	16	can	can	AUX
dti-1366	31	17	act	act	VERB
dti-1366	31	18	as	as	ADP
dti-1366	31	19	inhibitors	inhibitor	NOUN
dti-1366	31	20	or	or	CCONJ
dti-1366	31	21	potentially	potentially	ADV
dti-1366	31	22	be	be	AUX
dti-1366	31	23	developed	develop	VERB
dti-1366	31	24	as	as	ADP
dti-1366	31	25	a	a	DET
dti-1366	31	26	lead	lead	ADJ
dti-1366	31	27	drug	drug	NOUN
dti-1366	31	28	,	,	PUNCT
dti-1366	31	29	which	which	PRON
dti-1366	31	30	is	be	AUX
dti-1366	31	31	time	time	NOUN
dti-1366	31	32	-	-	PUNCT
dti-1366	31	33	consuming	consume	VERB
dti-1366	31	34	and	and	CCONJ
dti-1366	31	35	cost	cost	NOUN
dti-1366	31	36	-	-	PUNCT
dti-1366	31	37	intensive	intensive	ADJ
dti-1366	31	38	.	.	PUNCT
dti-1366	32	1	today	today	NOUN
dti-1366	32	2	,	,	PUNCT
dti-1366	32	3	with	with	ADP
dti-1366	32	4	the	the	DET
dti-1366	32	5	help	help	NOUN
dti-1366	32	6	of	of	ADP
dti-1366	32	7	computers	computer	NOUN
dti-1366	32	8	,	,	PUNCT
dti-1366	32	9	drug	drug	NOUN
dti-1366	32	10	design	design	NOUN
dti-1366	32	11	can	can	AUX
dti-1366	32	12	be	be	AUX
dti-1366	32	13	more	more	ADV
dti-1366	32	14	efficient.19,20	efficient.19,20	ADJ
dti-1366	32	15	in	in	ADP
dti-1366	32	16	the	the	DET
dti-1366	32	17	process	process	NOUN
dti-1366	32	18	of	of	ADP
dti-1366	32	19	developing	develop	VERB
dti-1366	32	20	new	new	ADJ
dti-1366	32	21	drug	drug	NOUN
dti-1366	32	22	molecules	molecule	NOUN
dti-1366	32	23	,	,	PUNCT
dti-1366	32	24	virtual	virtual	ADJ
dti-1366	32	25	screening	screening	NOUN
dti-1366	32	26	(	(	PUNCT
dti-1366	32	27	vs	vs	NOUN
dti-1366	32	28	)	)	PUNCT
dti-1366	32	29	is	be	AUX
dti-1366	32	30	a	a	DET
dti-1366	32	31	powerful	powerful	ADJ
dti-1366	32	32	tool	tool	NOUN
dti-1366	32	33	that	that	PRON
dti-1366	32	34	can	can	AUX
dti-1366	32	35	be	be	AUX
dti-1366	32	36	significantly	significantly	ADV
dti-1366	32	37	involved	involve	VERB
dti-1366	32	38	as	as	ADP
dti-1366	32	39	part	part	NOUN
dti-1366	32	40	of	of	ADP
dti-1366	32	41	the	the	DET
dti-1366	32	42	computer	computer	NOUN
dti-1366	32	43	-	-	PUNCT
dti-1366	32	44	aided	aid	VERB
dti-1366	32	45	drug	drug	NOUN
dti-1366	32	46	design	design	NOUN
dti-1366	32	47	and	and	CCONJ
dti-1366	32	48	development	development	NOUN
dti-1366	32	49	(	(	PUNCT
dti-1366	32	50	caddd	caddd	NOUN
dti-1366	32	51	)	)	PUNCT
dti-1366	32	52	method	method	NOUN
dti-1366	32	53	.	.	PUNCT
dti-1366	33	1	virtual	virtual	ADJ
dti-1366	33	2	screening	screening	NOUN
dti-1366	33	3	can	can	AUX
dti-1366	33	4	be	be	AUX
dti-1366	33	5	used	use	VERB
dti-1366	33	6	to	to	PART
dti-1366	33	7	assess	assess	VERB
dti-1366	33	8	whether	whether	SCONJ
dti-1366	33	9	known	know	VERB
dti-1366	33	10	compounds	compound	NOUN
dti-1366	33	11	,	,	PUNCT
dti-1366	33	12	which	which	PRON
dti-1366	33	13	are	be	AUX
dti-1366	33	14	retained	retain	VERB
dti-1366	33	15	from	from	ADP
dti-1366	33	16	any	any	DET
dti-1366	33	17	source	source	NOUN
dti-1366	33	18	of	of	ADP
dti-1366	33	19	a	a	DET
dti-1366	33	20	molecular	molecular	ADJ
dti-1366	33	21	database	database	NOUN
dti-1366	33	22	,	,	PUNCT
dti-1366	33	23	are	be	AUX
dti-1366	33	24	possible	possible	ADJ
dti-1366	33	25	to	to	PART
dti-1366	33	26	become	become	VERB
dti-1366	33	27	lead	lead	ADJ
dti-1366	33	28	compounds	compound	NOUN
dti-1366	33	29	for	for	ADP
dti-1366	33	30	a	a	DET
dti-1366	33	31	specific	specific	ADJ
dti-1366	33	32	target.21	target.21	NOUN
dti-1366	33	33	one	one	NUM
dti-1366	33	34	method	method	NOUN
dti-1366	33	35	that	that	PRON
dti-1366	33	36	is	be	AUX
dti-1366	33	37	frequently	frequently	ADV
dti-1366	33	38	used	use	VERB
dti-1366	33	39	together	together	ADV
dti-1366	33	40	with	with	ADP
dti-1366	33	41	the	the	DET
dti-1366	33	42	vs	vs	ADJ
dti-1366	33	43	process	process	NOUN
dti-1366	33	44	is	be	AUX
dti-1366	33	45	molecular	molecular	ADJ
dti-1366	33	46	docking	docking	NOUN
dti-1366	33	47	simulation	simulation	NOUN
dti-1366	33	48	;	;	PUNCT
dti-1366	33	49	this	this	DET
dti-1366	33	50	simulation	simulation	NOUN
dti-1366	33	51	is	be	AUX
dti-1366	33	52	often	often	ADV
dti-1366	33	53	used	use	VERB
dti-1366	33	54	to	to	PART
dti-1366	33	55	predict	predict	VERB
dti-1366	33	56	the	the	DET
dti-1366	33	57	small	small	ADJ
dti-1366	33	58	molecule	molecule	NOUN
dti-1366	33	59	’s	’s	PART
dti-1366	33	60	binding	bind	VERB
dti-1366	33	61	orientation	orientation	NOUN
dti-1366	33	62	of	of	ADP
dti-1366	33	63	the	the	DET
dti-1366	33	64	targeted	target	VERB
dti-1366	33	65	protein	protein	NOUN
dti-1366	33	66	in	in	ADP
dti-1366	33	67	the	the	DET
dti-1366	33	68	hope	hope	NOUN
dti-1366	33	69	of	of	ADP
dti-1366	33	70	obtaining	obtain	VERB
dti-1366	33	71	potential	potential	ADJ
dti-1366	33	72	drug	drug	NOUN
dti-1366	33	73	candidates	candidate	NOUN
dti-1366	33	74	based	base	VERB
dti-1366	33	75	on	on	ADP
dti-1366	33	76	the	the	DET
dti-1366	33	77	predicted	predict	VERB
dti-1366	33	78	binding	bind	VERB
dti-1366	33	79	affinities	affinity	NOUN
dti-1366	33	80	and	and	CCONJ
dti-1366	33	81	activity.22–24	activity.22–24	PROPN
dti-1366	33	82	moreover	moreover	ADV
dti-1366	33	83	,	,	PUNCT
dti-1366	33	84	the	the	DET
dti-1366	33	85	caddd	caddd	NOUN
dti-1366	33	86	process	process	NOUN
dti-1366	33	87	is	be	AUX
dti-1366	33	88	frequently	frequently	ADV
dti-1366	33	89	followed	follow	VERB
dti-1366	33	90	by	by	ADP
dti-1366	33	91	molecular	molecular	ADJ
dti-1366	33	92	dynamics	dynamic	NOUN
dti-1366	33	93	simulation	simulation	NOUN
dti-1366	33	94	.	.	PUNCT
dti-1366	34	1	this	this	DET
dti-1366	34	2	simulation	simulation	NOUN
dti-1366	34	3	is	be	AUX
dti-1366	34	4	useful	useful	ADJ
dti-1366	34	5	to	to	PART
dti-1366	34	6	predict	predict	VERB
dti-1366	34	7	the	the	DET
dti-1366	34	8	complex	complex	ADJ
dti-1366	34	9	stability	stability	NOUN
dti-1366	34	10	of	of	ADP
dti-1366	34	11	the	the	DET
dti-1366	34	12	ligand	ligand	NOUN
dti-1366	34	13	and	and	CCONJ
dti-1366	34	14	its	its	PRON
dti-1366	34	15	target	target	NOUN
dti-1366	34	16	protein	protein	NOUN
dti-1366	34	17	,	,	PUNCT
dti-1366	34	18	although	although	SCONJ
dti-1366	34	19	the	the	DET
dti-1366	34	20	whole	whole	ADJ
dti-1366	34	21	process	process	NOUN
dti-1366	34	22	itself	itself	PRON
dti-1366	34	23	is	be	AUX
dti-1366	34	24	computationally	computationally	ADV
dti-1366	34	25	expensive	expensive	ADJ
dti-1366	34	26	and	and	CCONJ
dti-1366	34	27	time	time	NOUN
dti-1366	34	28	-	-	PUNCT
dti-1366	34	29	consuming.25,26	consuming.25,26	NOUN
dti-1366	34	30	several	several	ADJ
dti-1366	34	31	studies	study	NOUN
dti-1366	34	32	related	relate	VERB
dti-1366	34	33	to	to	ADP
dti-1366	34	34	the	the	DET
dti-1366	34	35	inhibition	inhibition	NOUN
dti-1366	34	36	of	of	ADP
dti-1366	34	37	ns3	ns3	NOUN
dti-1366	34	38	and	and	CCONJ
dti-1366	34	39	ns5	ns5	NOUN
dti-1366	34	40	proteins	protein	NOUN
dti-1366	34	41	,	,	PUNCT
dti-1366	34	42	either	either	CCONJ
dti-1366	34	43	in	in	ADP
dti-1366	34	44	silico	silico	NOUN
dti-1366	34	45	or	or	CCONJ
dti-1366	34	46	in	in	ADP
dti-1366	34	47	vitro	vitro	X
dti-1366	34	48	,	,	PUNCT
dti-1366	34	49	have	have	AUX
dti-1366	34	50	been	be	AUX
dti-1366	34	51	conducted	conduct	VERB
dti-1366	34	52	earlier.13,16,27–36	earlier.13,16,27–36	DET
dti-1366	34	53	the	the	DET
dti-1366	34	54	modification	modification	NOUN
dti-1366	34	55	of	of	ADP
dti-1366	34	56	certain	certain	ADJ
dti-1366	34	57	chemical	chemical	NOUN
dti-1366	34	58	compounds	compound	NOUN
dti-1366	34	59	,	,	PUNCT
dti-1366	34	60	supported	support	VERB
dti-1366	34	61	by	by	ADP
dti-1366	34	62	the	the	DET
dti-1366	34	63	advancement	advancement	NOUN
dti-1366	34	64	of	of	ADP
dti-1366	34	65	technology	technology	NOUN
dti-1366	34	66	in	in	ADP
dti-1366	34	67	bioinformatics	bioinformatics	NOUN
dti-1366	34	68	and	and	CCONJ
dti-1366	34	69	medicinal	medicinal	ADJ
dti-1366	34	70	chemistry	chemistry	NOUN
dti-1366	34	71	fields	field	NOUN
dti-1366	34	72	,	,	PUNCT
dti-1366	34	73	can	can	AUX
dti-1366	34	74	be	be	AUX
dti-1366	34	75	done	do	VERB
dti-1366	34	76	to	to	PART
dti-1366	34	77	find	find	VERB
dti-1366	34	78	the	the	DET
dti-1366	34	79	structure	structure	NOUN
dti-1366	34	80	that	that	PRON
dti-1366	34	81	can	can	AUX
dti-1366	34	82	be	be	AUX
dti-1366	34	83	used	use	VERB
dti-1366	34	84	as	as	ADP
dti-1366	34	85	a	a	DET
dti-1366	34	86	new	new	ADJ
dti-1366	34	87	,	,	PUNCT
dti-1366	34	88	potential	potential	ADJ
dti-1366	34	89	antiviral	antiviral	ADJ
dti-1366	34	90	drug	drug	NOUN
dti-1366	34	91	candidate	candidate	NOUN
dti-1366	34	92	.	.	PUNCT
dti-1366	35	1	in	in	ADP
dti-1366	35	2	this	this	DET
dti-1366	35	3	study	study	NOUN
dti-1366	35	4	,	,	PUNCT
dti-1366	35	5	we	we	PRON
dti-1366	35	6	tried	try	VERB
dti-1366	35	7	to	to	PART
dti-1366	35	8	prove	prove	VERB
dti-1366	35	9	that	that	SCONJ
dti-1366	35	10	the	the	DET
dti-1366	35	11	modified	modify	VERB
dti-1366	35	12	compound	compound	NOUN
dti-1366	35	13	of	of	ADP
dti-1366	35	14	sah	sah	NOUN
dti-1366	35	15	can	can	AUX
dti-1366	35	16	inhibit	inhibit	VERB
dti-1366	35	17	the	the	DET
dti-1366	35	18	ns5	ns5	NOUN
dti-1366	35	19	methyltransferase	methyltransferase	NOUN
dti-1366	35	20	enzyme	enzyme	NOUN
dti-1366	35	21	of	of	ADP
dti-1366	35	22	denv	denv	NOUN
dti-1366	35	23	using	use	VERB
dti-1366	35	24	molecular	molecular	ADJ
dti-1366	35	25	docking	docking	NOUN
dti-1366	35	26	and	and	CCONJ
dti-1366	35	27	molecular	molecular	ADJ
dti-1366	35	28	dynamics	dynamic	NOUN
dti-1366	35	29	simulation	simulation	NOUN
dti-1366	35	30	.	.	PUNCT
dti-1366	36	1	the	the	DET
dti-1366	36	2	computational	computational	ADJ
dti-1366	36	3	adme	adme	NOUN
dti-1366	36	4	-	-	PUNCT
dti-1366	36	5	tox	tox	NOUN
dti-1366	36	6	(	(	PUNCT
dti-1366	36	7	absorption	absorption	NOUN
dti-1366	36	8	,	,	PUNCT
dti-1366	36	9	distribution	distribution	NOUN
dti-1366	36	10	,	,	PUNCT
dti-1366	36	11	metabolism	metabolism	NOUN
dti-1366	36	12	,	,	PUNCT
dti-1366	36	13	excretion	excretion	NOUN
dti-1366	36	14	,	,	PUNCT
dti-1366	36	15	and	and	CCONJ
dti-1366	36	16	toxicity	toxicity	NOUN
dti-1366	36	17	)	)	PUNCT
dti-1366	36	18	test	test	NOUN
dti-1366	36	19	would	would	AUX
dti-1366	36	20	be	be	AUX
dti-1366	36	21	conducted	conduct	VERB
dti-1366	36	22	as	as	ADV
dti-1366	36	23	well	well	ADV
dti-1366	36	24	to	to	PART
dti-1366	36	25	eliminate	eliminate	VERB
dti-1366	36	26	further	far	ADV
dti-1366	36	27	the	the	DET
dti-1366	36	28	remaining	remain	VERB
dti-1366	36	29	potential	potential	ADJ
dti-1366	36	30	ligand	ligand	NOUN
dti-1366	36	31	.	.	PUNCT
dti-1366	37	1	materials	material	NOUN
dti-1366	37	2	and	and	CCONJ
dti-1366	37	3	methods	method	NOUN
dti-1366	37	4	the	the	DET
dti-1366	37	5	methodology	methodology	NOUN
dti-1366	37	6	of	of	ADP
dti-1366	37	7	this	this	DET
dti-1366	37	8	experiment	experiment	NOUN
dti-1366	37	9	has	have	AUX
dti-1366	37	10	been	be	AUX
dti-1366	37	11	further	far	ADV
dti-1366	37	12	modified	modify	VERB
dti-1366	37	13	based	base	VERB
dti-1366	37	14	on	on	ADP
dti-1366	37	15	our	our	PRON
dti-1366	37	16	established	establish	VERB
dti-1366	37	17	research	research	NOUN
dti-1366	37	18	pipeline.37–39	pipeline.37–39	PRON
dti-1366	37	19	in	in	ADP
dti-1366	37	20	this	this	DET
dti-1366	37	21	research	research	NOUN
dti-1366	37	22	,	,	PUNCT
dti-1366	37	23	we	we	PRON
dti-1366	37	24	used	use	VERB
dti-1366	37	25	several	several	ADJ
dti-1366	37	26	kinds	kind	NOUN
dti-1366	37	27	of	of	ADP
dti-1366	37	28	offline	offline	ADJ
dti-1366	37	29	and	and	CCONJ
dti-1366	37	30	online	online	ADJ
dti-1366	37	31	software	software	NOUN
dti-1366	37	32	.	.	PUNCT
dti-1366	38	1	molecular	molecular	ADJ
dti-1366	38	2	operating	operating	NOUN
dti-1366	38	3	environment	environment	NOUN
dti-1366	38	4	(	(	PUNCT
dti-1366	38	5	moe	moe	NOUN
dti-1366	38	6	)	)	PUNCT
dti-1366	38	7	2008.10,40,41	2008.10,40,41	NUM
dti-1366	38	8	acd	acd	NOUN
dti-1366	38	9	/	/	SYM
dti-1366	38	10	labs	lab	NOUN
dti-1366	38	11	chemsketch	chemsketch	VERB
dti-1366	38	12	12.01	12.01	NUM
dti-1366	38	13	,	,	PUNCT
dti-1366	38	14	perkinelmer	perkinelmer	NOUN
dti-1366	38	15	chembiodraw	chembiodraw	VERB
dti-1366	38	16	13.0	13.0	NUM
dti-1366	38	17	,	,	PUNCT
dti-1366	38	18	vegazz	vegazz	NOUN
dti-1366	38	19	3.0.5	3.0.5	NUM
dti-1366	38	20	,	,	PUNCT
dti-1366	38	21	caesa	caesa	NOUN
dti-1366	38	22	(	(	PUNCT
dti-1366	38	23	computer	computer	NOUN
dti-1366	38	24	-	-	PUNCT
dti-1366	38	25	assisted	assist	VERB
dti-1366	38	26	estimation	estimation	NOUN
dti-1366	38	27	of	of	ADP
dti-1366	38	28	synthetic	synthetic	ADJ
dti-1366	38	29	accessibility	accessibility	NOUN
dti-1366	38	30	,	,	PUNCT
dti-1366	38	31	v2.4	v2.4	NUM
dti-1366	38	32	;	;	PUNCT
dti-1366	38	33	symbiosis	symbiosis	PROPN
dti-1366	38	34	inc	inc	PROPN
dti-1366	38	35	,	,	PUNCT
dti-1366	38	36	lanham	lanham	PROPN
dti-1366	38	37	,	,	PUNCT
dti-1366	38	38	md	md	PROPN
dti-1366	38	39	,	,	PUNCT
dti-1366	38	40	usa	usa	PROPN
dti-1366	38	41	)	)	PUNCT
dti-1366	38	42	,	,	PUNCT
dti-1366	38	43	toxtree	toxtree	NOUN
dti-1366	38	44	2.5.0,42	2.5.0,42	NUM
dti-1366	38	45	and	and	CCONJ
dti-1366	38	46	osiris	osiris	PROPN
dti-1366	38	47	property	property	NOUN
dti-1366	38	48	explorer43	explorer43	NOUN
dti-1366	38	49	were	be	AUX
dti-1366	38	50	the	the	DET
dti-1366	38	51	offline	offline	ADJ
dti-1366	38	52	and	and	CCONJ
dti-1366	38	53	online	online	ADJ
dti-1366	38	54	software	software	NOUN
dti-1366	38	55	that	that	PRON
dti-1366	38	56	were	be	AUX
dti-1366	38	57	used	use	VERB
dti-1366	38	58	to	to	PART
dti-1366	38	59	conduct	conduct	VERB
dti-1366	38	60	this	this	DET
dti-1366	38	61	research	research	NOUN
dti-1366	38	62	,	,	PUNCT
dti-1366	38	63	respectively	respectively	ADV
dti-1366	38	64	.	.	PUNCT
dti-1366	39	1	preparation	preparation	NOUN
dti-1366	39	2	of	of	ADP
dti-1366	39	3	the	the	DET
dti-1366	39	4	standard	standard	ADJ
dti-1366	39	5	ligands	ligand	NOUN
dti-1366	39	6	and	and	CCONJ
dti-1366	39	7	the	the	DET
dti-1366	39	8	modified	modify	VERB
dti-1366	39	9	sah	sah	NOUN
dti-1366	39	10	ligands	ligand	NOUN
dti-1366	39	11	in	in	ADP
dti-1366	39	12	this	this	DET
dti-1366	39	13	study	study	NOUN
dti-1366	39	14	,	,	PUNCT
dti-1366	39	15	the	the	DET
dti-1366	39	16	modified	modify	VERB
dti-1366	39	17	sah	sah	NOUN
dti-1366	39	18	ligands	ligand	NOUN
dti-1366	39	19	and	and	CCONJ
dti-1366	39	20	the	the	DET
dti-1366	39	21	standards	standard	NOUN
dti-1366	39	22	were	be	AUX
dti-1366	39	23	drawn	draw	VERB
dti-1366	39	24	in	in	ADP
dti-1366	39	25	2	2	NUM
dti-1366	39	26	-	-	PUNCT
dti-1366	39	27	dimensional	dimensional	ADJ
dti-1366	39	28	format	format	NOUN
dti-1366	39	29	using	use	VERB
dti-1366	39	30	acd	acd	NOUN
dti-1366	39	31	/	/	SYM
dti-1366	39	32	labs	lab	NOUN
dti-1366	39	33	chemsketch	chemsketch	VERB
dti-1366	39	34	12.01	12.01	NUM
dti-1366	39	35	software	software	NOUN
dti-1366	39	36	,	,	PUNCT
dti-1366	39	37	which	which	PRON
dti-1366	39	38	later	later	ADV
dti-1366	39	39	can	can	AUX
dti-1366	39	40	be	be	AUX
dti-1366	39	41	saved	save	VERB
dti-1366	39	42	in	in	ADP
dti-1366	39	43	.mol	.mol	PROPN
dti-1366	40	1	(	(	PUNCT
dti-1366	40	2	mdl	mdl	PROPN
dti-1366	40	3	format	format	NOUN
dti-1366	40	4	molfile	molfile	NOUN
dti-1366	40	5	)	)	PUNCT
dti-1366	40	6	.	.	PUNCT
dti-1366	41	1	all	all	DET
dti-1366	41	2	these	these	DET
dti-1366	41	3	ligands	ligand	NOUN
dti-1366	41	4	were	be	AUX
dti-1366	41	5	further	far	ADV
dti-1366	41	6	optimized	optimize	VERB
dti-1366	41	7	using	use	VERB
dti-1366	41	8	the	the	DET
dti-1366	41	9	vegazz	vegazz	NOUN
dti-1366	41	10	software	software	NOUN
dti-1366	41	11	before	before	SCONJ
dti-1366	41	12	they	they	PRON
dti-1366	41	13	were	be	AUX
dti-1366	41	14	entered	enter	VERB
dti-1366	41	15	into	into	ADP
dti-1366	41	16	the	the	DET
dti-1366	41	17	moe	moe	NOUN
dti-1366	41	18	database	database	NOUN
dti-1366	41	19	.	.	PUNCT
dti-1366	42	1	in	in	ADP
dti-1366	42	2	this	this	DET
dti-1366	42	3	software	software	NOUN
dti-1366	42	4	,	,	PUNCT
dti-1366	42	5	optimization	optimization	NOUN
dti-1366	42	6	of	of	ADP
dti-1366	42	7	several	several	ADJ
dti-1366	42	8	ligands	ligand	NOUN
dti-1366	42	9	occurred	occur	VERB
dti-1366	42	10	,	,	PUNCT
dti-1366	42	11	such	such	ADJ
dti-1366	42	12	as	as	ADP
dti-1366	42	13	geometry	geometry	NOUN
dti-1366	42	14	optimization	optimization	NOUN
dti-1366	42	15	and	and	CCONJ
dti-1366	42	16	3	3	NUM
dti-1366	42	17	-	-	PUNCT
dti-1366	42	18	dimensional	dimensional	ADJ
dti-1366	42	19	(	(	PUNCT
dti-1366	42	20	3d	3d	NOUN
dti-1366	42	21	)	)	PUNCT
dti-1366	42	22	structure	structure	NOUN
dti-1366	42	23	-	-	PUNCT
dti-1366	42	24	energy	energy	NOUN
dti-1366	42	25	minimization	minimization	NOUN
dti-1366	42	26	.	.	PUNCT
dti-1366	43	1	all	all	DET
dti-1366	43	2	ligands	ligand	NOUN
dti-1366	43	3	were	be	AUX
dti-1366	43	4	optimized	optimize	VERB
dti-1366	43	5	using	use	VERB
dti-1366	43	6	mmff94x	mmff94x	NOUN
dti-1366	43	7	force	force	NOUN
dti-1366	43	8	field	field	NOUN
dti-1366	43	9	with	with	ADP
dti-1366	43	10	root	root	NOUN
dti-1366	43	11	mean	mean	ADJ
dti-1366	43	12	square	square	PROPN
dti-1366	43	13	(	(	PUNCT
dti-1366	43	14	rms	rm	NOUN
dti-1366	43	15	)	)	PUNCT
dti-1366	43	16	gradient	gradient	NOUN
dti-1366	43	17	of	of	ADP
dti-1366	43	18	0.001	0.001	NUM
dti-1366	43	19	.	.	PUNCT
dti-1366	44	1	the	the	DET
dti-1366	44	2	other	other	ADJ
dti-1366	44	3	parameters	parameter	NOUN
dti-1366	44	4	were	be	AUX
dti-1366	44	5	adapted	adapt	VERB
dti-1366	44	6	to	to	ADP
dti-1366	44	7	the	the	DET
dti-1366	44	8	existing	exist	VERB
dti-1366	44	9	default	default	NOUN
dti-1366	44	10	of	of	ADP
dti-1366	44	11	moe	moe	NOUN
dti-1366	44	12	2008.10	2008.10	NUM
dti-1366	44	13	software	software	NOUN
dti-1366	44	14	.	.	PUNCT
dti-1366	45	1	the	the	DET
dti-1366	45	2	optimized	optimize	VERB
dti-1366	45	3	ligands	ligand	NOUN
dti-1366	45	4	were	be	AUX
dti-1366	45	5	later	later	ADV
dti-1366	45	6	stored	store	VERB
dti-1366	45	7	in	in	ADP
dti-1366	45	8	.mdb	.mdb	PROPN
dti-1366	45	9	database	database	PROPN
dti-1366	45	10	format	format	NOUN
dti-1366	45	11	.	.	PUNCT
dti-1366	46	1	preparation	preparation	NOUN
dti-1366	46	2	of	of	ADP
dti-1366	46	3	the	the	DET
dti-1366	46	4	ns5	ns5	PROPN
dti-1366	46	5	methyltransferase	methyltransferase	NOUN
dti-1366	46	6	denv	denv	NOUN
dti-1366	46	7	the	the	DET
dti-1366	46	8	sequence	sequence	NOUN
dti-1366	46	9	data	datum	NOUN
dti-1366	46	10	of	of	ADP
dti-1366	46	11	ns5	ns5	NOUN
dti-1366	46	12	methyltransferase	methyltransferase	NOUN
dti-1366	46	13	enzyme	enzyme	NOUN
dti-1366	46	14	were	be	AUX
dti-1366	46	15	searched	search	VERB
dti-1366	46	16	through	through	ADP
dti-1366	46	17	the	the	DET
dti-1366	46	18	national	national	ADJ
dti-1366	46	19	center	center	NOUN
dti-1366	46	20	for	for	ADP
dti-1366	46	21	biotechnology	biotechnology	NOUN
dti-1366	46	22	information	information	NOUN
dti-1366	46	23	(	(	PUNCT
dti-1366	46	24	ncbi	ncbi	NOUN
dti-1366	46	25	)	)	PUNCT
dti-1366	46	26	database.44	database.44	VERB
dti-1366	46	27	the	the	DET
dti-1366	46	28	sequence	sequence	NOUN
dti-1366	46	29	was	be	AUX
dti-1366	46	30	stored	store	VERB
dti-1366	46	31	in	in	ADP
dti-1366	46	32	fasta	fasta	PROPN
dti-1366	46	33	format	format	NOUN
dti-1366	46	34	.	.	PUNCT
dti-1366	47	1	the	the	DET
dti-1366	47	2	entire	entire	ADJ
dti-1366	47	3	sequence	sequence	NOUN
dti-1366	47	4	was	be	AUX
dti-1366	47	5	further	further	ADJ
dti-1366	47	6	input	input	NOUN
dti-1366	47	7	into	into	ADP
dti-1366	47	8	clustalw2	clustalw2	PROPN
dti-1366	47	9	server	server	NOUN
dti-1366	47	10	(	(	PUNCT
dti-1366	47	11	http://www.ebi.ac.uk/tools/clustalw2	http://www.ebi.ac.uk/tools/clustalw2	ADJ
dti-1366	47	12	)	)	PUNCT
dti-1366	47	13	.	.	PUNCT
dti-1366	48	1	on	on	ADP
dti-1366	48	2	this	this	DET
dti-1366	48	3	server	server	NOUN
dti-1366	48	4	,	,	PUNCT
dti-1366	48	5	the	the	DET
dti-1366	48	6	multiple	multiple	ADJ
dti-1366	48	7	sequence	sequence	NOUN
dti-1366	48	8	alignment	alignment	NOUN
dti-1366	48	9	(	(	PUNCT
dti-1366	48	10	msa	msa	PROPN
dti-1366	48	11	)	)	PUNCT
dti-1366	48	12	was	be	AUX
dti-1366	48	13	performed	perform	VERB
dti-1366	48	14	between	between	ADP
dti-1366	48	15	ns5	ns5	NOUN
dti-1366	48	16	methyltransferase	methyltransferase	NOUN
dti-1366	48	17	enzyme	enzyme	NOUN
dti-1366	48	18	sequences	sequence	NOUN
dti-1366	48	19	,	,	PUNCT
dti-1366	48	20	which	which	PRON
dti-1366	48	21	resulted	result	VERB
dti-1366	48	22	in	in	ADP
dti-1366	48	23	the	the	DET
dti-1366	48	24	most	most	ADV
dti-1366	48	25	viable	viable	ADJ
dti-1366	48	26	ns5	ns5	NOUN
dti-1366	48	27	methyltransferase	methyltransferase	NOUN
dti-1366	48	28	enzyme	enzyme	NOUN
dti-1366	48	29	sequence	sequence	NOUN
dti-1366	48	30	for	for	ADP
dti-1366	48	31	the	the	DET
dti-1366	48	32	3d	3d	NUM
dti-1366	48	33	structure	structure	NOUN
dti-1366	48	34	template	template	NOUN
dti-1366	48	35	,	,	PUNCT
dti-1366	48	36	based	base	VERB
dti-1366	48	37	on	on	ADP
dti-1366	48	38	its	its	PRON
dti-1366	48	39	highest	high	ADJ
dti-1366	48	40	score	score	NOUN
dti-1366	48	41	.	.	PUNCT
dti-1366	49	1	the	the	DET
dti-1366	49	2	3d	3d	NUM
dti-1366	49	3	structure	structure	NOUN
dti-1366	49	4	of	of	ADP
dti-1366	49	5	this	this	DET
dti-1366	49	6	enzyme	enzyme	NOUN
dti-1366	49	7	can	can	AUX
dti-1366	49	8	be	be	AUX
dti-1366	49	9	later	later	ADV
dti-1366	49	10	downloaded	download	VERB
dti-1366	49	11	from	from	ADP
dti-1366	49	12	the	the	DET
dti-1366	49	13	research	research	NOUN
dti-1366	49	14	collaboratory	collaboratory	NOUN
dti-1366	49	15	for	for	ADP
dti-1366	49	16	structural	structural	ADJ
dti-1366	49	17	bioinformatics	bioinformatics	NOUN
dti-1366	49	18	protein	protein	NOUN
dti-1366	49	19	data	datum	NOUN
dti-1366	49	20	bank	bank	PROPN
dti-1366	49	21	(	(	PUNCT
dti-1366	49	22	rcsb	rcsb	PROPN
dti-1366	49	23	pdb	pdb	PROPN
dti-1366	49	24	)	)	PUNCT
dti-1366	49	25	through	through	ADP
dti-1366	49	26	the	the	DET
dti-1366	49	27	http://www.rcsb.org/pdb/home/home.do	http://www.rcsb.org/pdb/home/home.do	PROPN
dti-1366	49	28	.	.	PUNCT
dti-1366	50	1	http://www.ebi.ac.uk/tools/clustalw2	http://www.ebi.ac.uk/tools/clustalw2	ADJ
dti-1366	51	1	http://www.rcsb.org/pdb/home/home.do	http://www.rcsb.org/pdb/home/home.do	PRON
dti-1366	51	2	tambunan	tambunan	NOUN
dti-1366	51	3	et	et	NOUN
dti-1366	51	4	al	al	PROPN
dti-1366	51	5	3	3	NUM
dti-1366	51	6	the	the	DET
dti-1366	51	7	downloaded	download	VERB
dti-1366	51	8	pdb	pdb	PROPN
dti-1366	51	9	data	datum	NOUN
dti-1366	51	10	were	be	AUX
dti-1366	51	11	then	then	ADV
dti-1366	51	12	opened	open	VERB
dti-1366	51	13	with	with	ADP
dti-1366	51	14	moe	moe	NOUN
dti-1366	51	15	2008.10	2008.10	NUM
dti-1366	51	16	software	software	NOUN
dti-1366	51	17	for	for	ADP
dti-1366	51	18	further	further	ADJ
dti-1366	51	19	optimization	optimization	NOUN
dti-1366	51	20	.	.	PUNCT
dti-1366	52	1	the	the	DET
dti-1366	52	2	optimization	optimization	NOUN
dti-1366	52	3	process	process	NOUN
dti-1366	52	4	of	of	ADP
dti-1366	52	5	ns5	ns5	NOUN
dti-1366	52	6	methyltransferase	methyltransferase	NOUN
dti-1366	52	7	protein	protein	NOUN
dti-1366	52	8	begins	begin	VERB
dti-1366	52	9	by	by	ADP
dti-1366	52	10	removing	remove	VERB
dti-1366	52	11	the	the	DET
dti-1366	52	12	water	water	NOUN
dti-1366	52	13	molecules	molecule	NOUN
dti-1366	52	14	and	and	CCONJ
dti-1366	52	15	metal	metal	NOUN
dti-1366	52	16	atoms	atom	NOUN
dti-1366	52	17	,	,	PUNCT
dti-1366	52	18	followed	follow	VERB
dti-1366	52	19	by	by	ADP
dti-1366	52	20	protonation	protonation	NOUN
dti-1366	52	21	of	of	ADP
dti-1366	52	22	the	the	DET
dti-1366	52	23	protein	protein	NOUN
dti-1366	52	24	using	use	VERB
dti-1366	52	25	“	"	PUNCT
dti-1366	52	26	protonate	protonate	VERB
dti-1366	52	27	3d	3d	NUM
dti-1366	52	28	”	"	PUNCT
dti-1366	52	29	default	default	NOUN
dti-1366	52	30	protocol	protocol	NOUN
dti-1366	52	31	.	.	PUNCT
dti-1366	53	1	then	then	ADV
dti-1366	53	2	,	,	PUNCT
dti-1366	53	3	the	the	DET
dti-1366	53	4	energy	energy	NOUN
dti-1366	53	5	minimization	minimization	NOUN
dti-1366	53	6	of	of	ADP
dti-1366	53	7	the	the	DET
dti-1366	53	8	protein	protein	NOUN
dti-1366	53	9	was	be	AUX
dti-1366	53	10	done	do	VERB
dti-1366	53	11	by	by	ADP
dti-1366	53	12	selecting	select	VERB
dti-1366	53	13	amber99	amber99	NOUN
dti-1366	53	14	force	force	PROPN
dti-1366	53	15	field	field	NOUN
dti-1366	53	16	in	in	ADP
dti-1366	53	17	the	the	DET
dti-1366	53	18	gas	gas	NOUN
dti-1366	53	19	phase	phase	NOUN
dti-1366	53	20	solvation	solvation	NOUN
dti-1366	53	21	.	.	PUNCT
dti-1366	54	1	the	the	DET
dti-1366	54	2	rms	rm	NOUN
dti-1366	54	3	gradient	gradient	NOUN
dti-1366	54	4	of	of	ADP
dti-1366	54	5	0.05	0.05	NUM
dti-1366	54	6	kcal	kcal	NOUN
dti-1366	54	7	/	/	SYM
dti-1366	54	8	mol	mol	ADP
dti-1366	54	9	ǻ	ǻ	PROPN
dti-1366	54	10	was	be	AUX
dti-1366	54	11	selected	select	VERB
dti-1366	54	12	,	,	PUNCT
dti-1366	54	13	whereas	whereas	SCONJ
dti-1366	54	14	the	the	DET
dti-1366	54	15	rest	rest	NOUN
dti-1366	54	16	of	of	ADP
dti-1366	54	17	parameters	parameter	NOUN
dti-1366	54	18	used	use	VERB
dti-1366	54	19	the	the	DET
dti-1366	54	20	standard	standard	ADJ
dti-1366	54	21	defaults	default	NOUN
dti-1366	54	22	that	that	PRON
dti-1366	54	23	already	already	ADV
dti-1366	54	24	exist	exist	VERB
dti-1366	54	25	.	.	PUNCT
dti-1366	55	1	then	then	ADV
dti-1366	55	2	,	,	PUNCT
dti-1366	55	3	the	the	DET
dti-1366	55	4	minimized	minimized	ADJ
dti-1366	55	5	ns5	ns5	NOUN
dti-1366	55	6	protein	protein	NOUN
dti-1366	55	7	structure	structure	NOUN
dti-1366	55	8	was	be	AUX
dti-1366	55	9	saved	save	VERB
dti-1366	55	10	in	in	ADP
dti-1366	55	11	.moe	.moe	NOUN
dti-1366	55	12	format	format	NOUN
dti-1366	55	13	.	.	PUNCT
dti-1366	56	1	molecular	molecular	ADJ
dti-1366	56	2	docking	docking	NOUN
dti-1366	56	3	simulation	simulation	NOUN
dti-1366	56	4	of	of	ADP
dti-1366	56	5	ns5	ns5	PROPN
dti-1366	56	6	methyltransferase	methyltransferase	NOUN
dti-1366	56	7	and	and	CCONJ
dti-1366	56	8	modified	modify	VERB
dti-1366	56	9	sah	sah	NOUN
dti-1366	56	10	ligands	ligand	NOUN
dti-1366	56	11	the	the	DET
dti-1366	56	12	process	process	NOUN
dti-1366	56	13	of	of	ADP
dti-1366	56	14	molecular	molecular	ADJ
dti-1366	56	15	docking	docking	NOUN
dti-1366	56	16	simulation	simulation	NOUN
dti-1366	56	17	between	between	ADP
dti-1366	56	18	enzyme	enzyme	NOUN
dti-1366	56	19	and	and	CCONJ
dti-1366	56	20	ligand	ligand	NOUN
dti-1366	56	21	begins	begin	VERB
dti-1366	56	22	by	by	ADP
dti-1366	56	23	opening	open	VERB
dti-1366	56	24	the	the	DET
dti-1366	56	25	previously	previously	ADV
dti-1366	56	26	optimized	optimize	VERB
dti-1366	56	27	protein	protein	NOUN
dti-1366	56	28	structure	structure	NOUN
dti-1366	56	29	in	in	ADP
dti-1366	56	30	.moe	.moe	NOUN
dti-1366	56	31	format	format	NOUN
dti-1366	56	32	and	and	CCONJ
dti-1366	56	33	the	the	DET
dti-1366	56	34	ligand	ligand	ADJ
dti-1366	56	35	database	database	NOUN
dti-1366	56	36	in	in	ADP
dti-1366	56	37	.mdb	.mdb	PROPN
dti-1366	56	38	format	format	PROPN
dti-1366	56	39	.	.	PUNCT
dti-1366	57	1	after	after	ADP
dti-1366	57	2	choosing	choose	VERB
dti-1366	57	3	the	the	DET
dti-1366	57	4	selected	select	VERB
dti-1366	57	5	amino	amino	NOUN
dti-1366	57	6	acid	acid	NOUN
dti-1366	57	7	residues	residue	NOUN
dti-1366	57	8	using	use	VERB
dti-1366	57	9	“	"	PUNCT
dti-1366	57	10	sitefinder	sitefinder	NOUN
dti-1366	57	11	”	"	PUNCT
dti-1366	57	12	feature	feature	NOUN
dti-1366	57	13	,	,	PUNCT
dti-1366	57	14	the	the	DET
dti-1366	57	15	docking	docking	NOUN
dti-1366	57	16	process	process	NOUN
dti-1366	57	17	was	be	AUX
dti-1366	57	18	conducted	conduct	VERB
dti-1366	57	19	by	by	ADP
dti-1366	57	20	selecting	select	VERB
dti-1366	57	21	compute	compute	NOUN
dti-1366	57	22	→	→	SYM
dti-1366	57	23	simulations	simulation	NOUN
dti-1366	57	24	→	→	SYM
dti-1366	57	25	dock	dock	NOUN
dti-1366	57	26	feature	feature	NOUN
dti-1366	57	27	.	.	PUNCT
dti-1366	58	1	the	the	DET
dti-1366	58	2	docking	docking	NOUN
dti-1366	58	3	area	area	NOUN
dti-1366	58	4	was	be	AUX
dti-1366	58	5	chosen	choose	VERB
dti-1366	58	6	based	base	VERB
dti-1366	58	7	on	on	ADP
dti-1366	58	8	the	the	DET
dti-1366	58	9	“	"	PUNCT
dti-1366	58	10	sitefinder	sitefinder	NOUN
dti-1366	58	11	”	"	PUNCT
dti-1366	58	12	result	result	NOUN
dti-1366	58	13	,	,	PUNCT
dti-1366	58	14	whereas	whereas	SCONJ
dti-1366	58	15	the	the	DET
dti-1366	58	16	“	"	PUNCT
dti-1366	58	17	triangle	triangle	NOUN
dti-1366	58	18	matcher	matcher	NOUN
dti-1366	58	19	”	"	PUNCT
dti-1366	58	20	placement	placement	NOUN
dti-1366	58	21	method	method	NOUN
dti-1366	58	22	and	and	CCONJ
dti-1366	58	23	london	london	PROPN
dti-1366	58	24	dg	dg	PROPN
dti-1366	58	25	scoring	scoring	NOUN
dti-1366	58	26	function	function	NOUN
dti-1366	58	27	were	be	AUX
dti-1366	58	28	selected	select	VERB
dti-1366	58	29	during	during	ADP
dti-1366	58	30	the	the	DET
dti-1366	58	31	docking	docking	NOUN
dti-1366	58	32	process	process	NOUN
dti-1366	58	33	.	.	PUNCT
dti-1366	59	1	the	the	DET
dti-1366	59	2	docking	docking	NOUN
dti-1366	59	3	results	result	NOUN
dti-1366	59	4	were	be	AUX
dti-1366	59	5	further	far	ADV
dti-1366	59	6	validated	validate	VERB
dti-1366	59	7	with	with	ADP
dti-1366	59	8	postplacement	postplacement	NOUN
dti-1366	59	9	refinement	refinement	NOUN
dti-1366	59	10	,	,	PUNCT
dti-1366	59	11	using	use	VERB
dti-1366	59	12	the	the	DET
dti-1366	59	13	gbvi	gbvi	NOUN
dti-1366	59	14	/	/	SYM
dti-1366	59	15	wsa	wsa	PROPN
dti-1366	59	16	dg	dg	PROPN
dti-1366	59	17	method	method	NOUN
dti-1366	59	18	.	.	PUNCT
dti-1366	60	1	the	the	DET
dti-1366	60	2	docking	docking	NOUN
dti-1366	60	3	simulation	simulation	NOUN
dti-1366	60	4	was	be	AUX
dti-1366	60	5	conducted	conduct	VERB
dti-1366	60	6	twice	twice	ADV
dti-1366	60	7	,	,	PUNCT
dti-1366	60	8	first	first	ADV
dti-1366	60	9	with	with	ADP
dti-1366	60	10	30	30	NUM
dti-1366	60	11	times	time	NOUN
dti-1366	60	12	and	and	CCONJ
dti-1366	60	13	second	second	ADJ
dti-1366	60	14	with	with	ADP
dti-1366	60	15	100	100	NUM
dti-1366	60	16	times	time	NOUN
dti-1366	60	17	of	of	ADP
dti-1366	60	18	placement	placement	NOUN
dti-1366	60	19	retention	retention	NOUN
dti-1366	60	20	process	process	NOUN
dti-1366	60	21	.	.	PUNCT
dti-1366	61	1	the	the	DET
dti-1366	61	2	other	other	ADJ
dti-1366	61	3	parameters	parameter	NOUN
dti-1366	61	4	were	be	AUX
dti-1366	61	5	adjusted	adjust	VERB
dti-1366	61	6	based	base	VERB
dti-1366	61	7	on	on	ADP
dti-1366	61	8	a	a	DET
dti-1366	61	9	default	default	NOUN
dti-1366	61	10	setting	setting	NOUN
dti-1366	61	11	.	.	PUNCT
dti-1366	62	1	the	the	DET
dti-1366	62	2	docking	docking	NOUN
dti-1366	62	3	results	result	NOUN
dti-1366	62	4	were	be	AUX
dti-1366	62	5	stored	store	VERB
dti-1366	62	6	in	in	ADP
dti-1366	62	7	.mdb	.mdb	PROPN
dti-1366	62	8	format	format	PROPN
dti-1366	62	9	.	.	PUNCT
dti-1366	63	1	the	the	DET
dti-1366	63	2	best	good	ADJ
dti-1366	63	3	enzyme	enzyme	NOUN
dti-1366	63	4	-	-	PUNCT
dti-1366	63	5	ligand	ligand	NOUN
dti-1366	63	6	complex	complex	NOUN
dti-1366	63	7	was	be	AUX
dti-1366	63	8	selected	select	VERB
dti-1366	63	9	based	base	VERB
dti-1366	63	10	on	on	ADP
dti-1366	63	11	its	its	PRON
dti-1366	63	12	free	free	ADJ
dti-1366	63	13	binding	bind	VERB
dti-1366	63	14	energy	energy	NOUN
dti-1366	63	15	value	value	NOUN
dti-1366	63	16	,	,	PUNCT
dti-1366	63	17	inhibition	inhibition	NOUN
dti-1366	63	18	constants	constant	NOUN
dti-1366	63	19	,	,	PUNCT
dti-1366	63	20	and	and	CCONJ
dti-1366	63	21	molecular	molecular	ADJ
dti-1366	63	22	interactions	interaction	NOUN
dti-1366	63	23	.	.	PUNCT
dti-1366	64	1	computational	computational	ADJ
dti-1366	64	2	adme	adme	NOUN
dti-1366	64	3	-	-	PUNCT
dti-1366	64	4	tox	tox	NOUN
dti-1366	64	5	and	and	CCONJ
dti-1366	64	6	synthetic	synthetic	ADJ
dti-1366	64	7	accessibility	accessibility	NOUN
dti-1366	64	8	prediction	prediction	NOUN
dti-1366	64	9	in	in	ADP
dti-1366	64	10	this	this	DET
dti-1366	64	11	study	study	NOUN
dti-1366	64	12	,	,	PUNCT
dti-1366	64	13	the	the	DET
dti-1366	64	14	remaining	remain	VERB
dti-1366	64	15	ligand	ligand	ADJ
dti-1366	64	16	candidates	candidate	NOUN
dti-1366	64	17	were	be	AUX
dti-1366	64	18	screened	screen	VERB
dti-1366	64	19	through	through	ADP
dti-1366	64	20	their	their	PRON
dti-1366	64	21	adme	adme	NOUN
dti-1366	64	22	-	-	PUNCT
dti-1366	64	23	tox	tox	NOUN
dti-1366	64	24	properties	property	NOUN
dti-1366	64	25	using	use	VERB
dti-1366	64	26	various	various	ADJ
dti-1366	64	27	software	software	NOUN
dti-1366	64	28	,	,	PUNCT
dti-1366	64	29	namely	namely	ADV
dti-1366	64	30	,	,	PUNCT
dti-1366	64	31	osiris	osiris	PROPN
dti-1366	64	32	property	property	NOUN
dti-1366	64	33	explorer	explorer	NOUN
dti-1366	64	34	(	(	PUNCT
dti-1366	64	35	www.organic	www.organic	ADJ
dti-1366	64	36	-	-	PUNCT
dti-1366	64	37	chemistry	chemistry	NOUN
dti-1366	64	38	.	.	PUNCT
dti-1366	65	1	org	org	NOUN
dti-1366	65	2	)	)	PUNCT
dti-1366	65	3	,	,	PUNCT
dti-1366	65	4	toxtree	toxtree	NOUN
dti-1366	65	5	(	(	PUNCT
dti-1366	65	6	toxtree.sourceforge.net	toxtree.sourceforge.net	NOUN
dti-1366	65	7	)	)	PUNCT
dti-1366	65	8	,	,	PUNCT
dti-1366	65	9	and	and	CCONJ
dti-1366	65	10	adme	adme	NOUN
dti-1366	65	11	-	-	NOUN
dti-1366	65	12	tox	tox	NOUN
dti-1366	65	13	(	(	PUNCT
dti-1366	65	14	http://	http://	PROPN
dti-1366	65	15	ilab.acdlabs.com	ilab.acdlabs.com	PROPN
dti-1366	65	16	)	)	PUNCT
dti-1366	65	17	.	.	PUNCT
dti-1366	66	1	these	these	DET
dti-1366	66	2	software	software	NOUN
dti-1366	66	3	analyzed	analyze	VERB
dti-1366	66	4	the	the	DET
dti-1366	66	5	druglikeness	druglikeness	NOUN
dti-1366	66	6	properties	property	NOUN
dti-1366	66	7	,	,	PUNCT
dti-1366	66	8	prediction	prediction	NOUN
dti-1366	66	9	of	of	ADP
dti-1366	66	10	adme	adme	NOUN
dti-1366	66	11	-	-	PUNCT
dti-1366	66	12	tox	tox	NOUN
dti-1366	66	13	properties	property	NOUN
dti-1366	66	14	,	,	PUNCT
dti-1366	66	15	and	and	CCONJ
dti-1366	66	16	carcinogenicity	carcinogenicity	NOUN
dti-1366	66	17	/	/	SYM
dti-1366	66	18	mutagenicity	mutagenicity	NOUN
dti-1366	66	19	prognosis	prognosis	NOUN
dti-1366	66	20	of	of	ADP
dti-1366	66	21	the	the	DET
dti-1366	66	22	ligands	ligand	NOUN
dti-1366	66	23	,	,	PUNCT
dti-1366	66	24	respectively	respectively	ADV
dti-1366	66	25	.	.	PUNCT
dti-1366	67	1	furthermore	furthermore	ADV
dti-1366	67	2	,	,	PUNCT
dti-1366	67	3	the	the	DET
dti-1366	67	4	best	good	ADJ
dti-1366	67	5	ligands	ligand	NOUN
dti-1366	67	6	which	which	PRON
dti-1366	67	7	have	have	VERB
dti-1366	67	8	the	the	DET
dti-1366	67	9	best	good	ADJ
dti-1366	67	10	binding	bind	VERB
dti-1366	67	11	affinity	affinity	NOUN
dti-1366	67	12	to	to	ADP
dti-1366	67	13	the	the	DET
dti-1366	67	14	ns5	ns5	NOUN
dti-1366	67	15	methyltransferase	methyltransferase	NOUN
dti-1366	67	16	protein	protein	NOUN
dti-1366	67	17	would	would	AUX
dti-1366	67	18	be	be	AUX
dti-1366	67	19	checked	check	VERB
dti-1366	67	20	for	for	ADP
dti-1366	67	21	their	their	PRON
dti-1366	67	22	synthetic	synthetic	ADJ
dti-1366	67	23	accessibilities	accessibility	NOUN
dti-1366	67	24	using	use	VERB
dti-1366	67	25	caesa	caesa	NOUN
dti-1366	67	26	software	software	NOUN
dti-1366	67	27	.	.	PUNCT
dti-1366	68	1	molecular	molecular	ADJ
dti-1366	68	2	dynamics	dynamic	NOUN
dti-1366	68	3	simulation	simulation	NOUN
dti-1366	68	4	in	in	ADP
dti-1366	68	5	this	this	DET
dti-1366	68	6	study	study	NOUN
dti-1366	68	7	,	,	PUNCT
dti-1366	68	8	the	the	DET
dti-1366	68	9	molecular	molecular	ADJ
dti-1366	68	10	dynamics	dynamic	NOUN
dti-1366	68	11	simulation	simulation	NOUN
dti-1366	68	12	was	be	AUX
dti-1366	68	13	performed	perform	VERB
dti-1366	68	14	using	use	VERB
dti-1366	68	15	moe	moe	NOUN
dti-1366	68	16	2008.10	2008.10	NUM
dti-1366	68	17	software	software	NOUN
dti-1366	68	18	.	.	PUNCT
dti-1366	69	1	the	the	DET
dti-1366	69	2	preparation	preparation	NOUN
dti-1366	69	3	begins	begin	VERB
dti-1366	69	4	with	with	ADP
dti-1366	69	5	the	the	DET
dti-1366	69	6	ns5	ns5	NOUN
dti-1366	69	7	methyltransferase	methyltransferase	NOUN
dti-1366	69	8	-	-	PUNCT
dti-1366	69	9	ligand	ligand	NOUN
dti-1366	69	10	preparation	preparation	NOUN
dti-1366	69	11	,	,	PUNCT
dti-1366	69	12	which	which	PRON
dti-1366	69	13	involves	involve	VERB
dti-1366	69	14	energy	energy	NOUN
dti-1366	69	15	minimization	minimization	NOUN
dti-1366	69	16	and	and	CCONJ
dti-1366	69	17	geometry	geometry	NOUN
dti-1366	69	18	optimization	optimization	NOUN
dti-1366	69	19	.	.	PUNCT
dti-1366	70	1	the	the	DET
dti-1366	70	2	parameters	parameter	NOUN
dti-1366	70	3	set	set	VERB
dti-1366	70	4	in	in	ADP
dti-1366	70	5	the	the	DET
dti-1366	70	6	energy	energy	NOUN
dti-1366	70	7	minimization	minimization	NOUN
dti-1366	70	8	step	step	NOUN
dti-1366	70	9	were	be	AUX
dti-1366	70	10	almost	almost	ADV
dti-1366	70	11	similar	similar	ADJ
dti-1366	70	12	to	to	ADP
dti-1366	70	13	those	those	PRON
dti-1366	70	14	in	in	ADP
dti-1366	70	15	the	the	DET
dti-1366	70	16	molecular	molecular	ADJ
dti-1366	70	17	docking	docking	NOUN
dti-1366	70	18	simulation	simulation	NOUN
dti-1366	70	19	;	;	PUNCT
dti-1366	70	20	the	the	DET
dti-1366	70	21	only	only	ADJ
dti-1366	70	22	difference	difference	NOUN
dti-1366	70	23	is	be	AUX
dti-1366	70	24	the	the	DET
dti-1366	70	25	generalized	generalize	VERB
dti-1366	70	26	born	bear	VERB
dti-1366	70	27	solvation	solvation	NOUN
dti-1366	70	28	model	model	NOUN
dti-1366	70	29	which	which	PRON
dti-1366	70	30	was	be	AUX
dti-1366	70	31	set	set	VERB
dti-1366	70	32	in	in	ADP
dti-1366	70	33	this	this	DET
dti-1366	70	34	step	step	NOUN
dti-1366	70	35	.	.	PUNCT
dti-1366	71	1	this	this	DET
dti-1366	71	2	simulation	simulation	NOUN
dti-1366	71	3	consists	consist	VERB
dti-1366	71	4	of	of	ADP
dti-1366	71	5	3	3	NUM
dti-1366	71	6	major	major	ADJ
dti-1366	71	7	steps	step	NOUN
dti-1366	71	8	:	:	PUNCT
dti-1366	71	9	initialization	initialization	NOUN
dti-1366	71	10	,	,	PUNCT
dti-1366	71	11	equilibration	equilibration	NOUN
dti-1366	71	12	,	,	PUNCT
dti-1366	71	13	and	and	CCONJ
dti-1366	71	14	production	production	NOUN
dti-1366	71	15	.	.	PUNCT
dti-1366	72	1	the	the	DET
dti-1366	72	2	simulation	simulation	NOUN
dti-1366	72	3	was	be	AUX
dti-1366	72	4	conducted	conduct	VERB
dti-1366	72	5	with	with	ADP
dti-1366	72	6	nosé	nosé	PROPN
dti-1366	72	7	-	-	PUNCT
dti-1366	72	8	poincaré	poincaré	PROPN
dti-1366	72	9	-	-	PUNCT
dti-1366	72	10	anderson	anderson	PROPN
dti-1366	72	11	(	(	PUNCT
dti-1366	72	12	npa	npa	PROPN
dti-1366	72	13	)	)	PUNCT
dti-1366	72	14	algorithm	algorithm	NOUN
dti-1366	72	15	and	and	CCONJ
dti-1366	72	16	canonical	canonical	ADJ
dti-1366	72	17	ensemble	ensemble	ADJ
dti-1366	72	18	(	(	PUNCT
dti-1366	72	19	nvt	nvt	PROPN
dti-1366	72	20	)	)	PUNCT
dti-1366	72	21	.	.	PUNCT
dti-1366	73	1	in	in	ADP
dti-1366	73	2	the	the	DET
dti-1366	73	3	initialization	initialization	NOUN
dti-1366	73	4	step	step	NOUN
dti-1366	73	5	,	,	PUNCT
dti-1366	73	6	the	the	DET
dti-1366	73	7	simulation	simulation	NOUN
dti-1366	73	8	was	be	AUX
dti-1366	73	9	performed	perform	VERB
dti-1366	73	10	for	for	ADP
dti-1366	73	11	100	100	NUM
dti-1366	73	12	ps	ps	NOUN
dti-1366	73	13	at	at	ADP
dti-1366	73	14	300	300	NUM
dti-1366	73	15	k	k	NOUN
dti-1366	73	16	,	,	PUNCT
dti-1366	73	17	whereas	whereas	SCONJ
dti-1366	73	18	in	in	ADP
dti-1366	73	19	the	the	DET
dti-1366	73	20	equilibration	equilibration	NOUN
dti-1366	73	21	step	step	NOUN
dti-1366	73	22	,	,	PUNCT
dti-1366	73	23	the	the	DET
dti-1366	73	24	simulation	simulation	NOUN
dti-1366	73	25	was	be	AUX
dti-1366	73	26	conducted	conduct	VERB
dti-1366	73	27	at	at	ADP
dti-1366	73	28	300	300	NUM
dti-1366	73	29	k	k	NOUN
dti-1366	73	30	,	,	PUNCT
dti-1366	73	31	gradually	gradually	ADV
dti-1366	73	32	increasing	increase	VERB
dti-1366	73	33	to	to	ADP
dti-1366	73	34	310	310	NUM
dti-1366	73	35	k	k	NOUN
dti-1366	73	36	for	for	ADP
dti-1366	73	37	100	100	NUM
dti-1366	73	38	ps	ps	NOUN
dti-1366	73	39	.	.	PUNCT
dti-1366	74	1	finally	finally	ADV
dti-1366	74	2	,	,	PUNCT
dti-1366	74	3	the	the	DET
dti-1366	74	4	production	production	NOUN
dti-1366	74	5	step	step	NOUN
dti-1366	74	6	was	be	AUX
dti-1366	74	7	implemented	implement	VERB
dti-1366	74	8	for	for	ADP
dti-1366	74	9	5000	5000	NUM
dti-1366	74	10	ps	ps	NOUN
dti-1366	74	11	(	(	PUNCT
dti-1366	74	12	5	5	NUM
dti-1366	74	13	ns	ns	NUM
dti-1366	74	14	)	)	PUNCT
dti-1366	74	15	.	.	PUNCT
dti-1366	75	1	the	the	DET
dti-1366	75	2	simulation	simulation	NOUN
dti-1366	75	3	results	result	NOUN
dti-1366	75	4	were	be	AUX
dti-1366	75	5	later	later	ADV
dti-1366	75	6	analyzed	analyze	VERB
dti-1366	75	7	for	for	ADP
dti-1366	75	8	determining	determine	VERB
dti-1366	75	9	the	the	DET
dti-1366	75	10	ns5	ns5	NOUN
dti-1366	75	11	methyltransferase	methyltransferase	NOUN
dti-1366	75	12	-	-	PUNCT
dti-1366	75	13	ligand	ligand	ADJ
dti-1366	75	14	complex	complex	ADJ
dti-1366	75	15	stabilities	stability	NOUN
dti-1366	75	16	.	.	PUNCT
dti-1366	76	1	results	result	NOUN
dti-1366	76	2	and	and	CCONJ
dti-1366	76	3	discussion	discussion	NOUN
dti-1366	76	4	preparation	preparation	NOUN
dti-1366	76	5	of	of	ADP
dti-1366	76	6	the	the	DET
dti-1366	76	7	standard	standard	ADJ
dti-1366	76	8	ligands	ligand	NOUN
dti-1366	76	9	and	and	CCONJ
dti-1366	76	10	the	the	DET
dti-1366	76	11	modified	modify	VERB
dti-1366	76	12	sah	sah	NOUN
dti-1366	76	13	ligands	ligand	VERB
dti-1366	76	14	the	the	DET
dti-1366	76	15	molecular	molecular	ADJ
dti-1366	76	16	structure	structure	NOUN
dti-1366	76	17	of	of	ADP
dti-1366	76	18	sah	sah	PROPN
dti-1366	76	19	compound	compound	PROPN
dti-1366	76	20	consists	consist	VERB
dti-1366	76	21	of	of	ADP
dti-1366	76	22	5	5	NUM
dti-1366	76	23	functional	functional	ADJ
dti-1366	76	24	groups	group	NOUN
dti-1366	76	25	,	,	PUNCT
dti-1366	76	26	including	include	VERB
dti-1366	76	27	2	2	NUM
dti-1366	76	28	amines	amine	NOUN
dti-1366	76	29	,	,	PUNCT
dti-1366	76	30	2	2	NUM
dti-1366	76	31	alcohols	alcohol	NOUN
dti-1366	76	32	,	,	PUNCT
dti-1366	76	33	and	and	CCONJ
dti-1366	76	34	a	a	DET
dti-1366	76	35	carboxylic	carboxylic	ADJ
dti-1366	76	36	group	group	NOUN
dti-1366	76	37	.	.	PUNCT
dti-1366	77	1	these	these	DET
dti-1366	77	2	groups	group	NOUN
dti-1366	77	3	can	can	AUX
dti-1366	77	4	be	be	AUX
dti-1366	77	5	modified	modify	VERB
dti-1366	77	6	by	by	ADP
dti-1366	77	7	other	other	ADJ
dti-1366	77	8	functional	functional	ADJ
dti-1366	77	9	groups	group	NOUN
dti-1366	77	10	to	to	PART
dti-1366	77	11	alter	alter	VERB
dti-1366	77	12	its	its	PRON
dti-1366	77	13	polarity	polarity	NOUN
dti-1366	77	14	or	or	CCONJ
dti-1366	77	15	enhance	enhance	VERB
dti-1366	77	16	its	its	PRON
dti-1366	77	17	druglikeness	druglikeness	NOUN
dti-1366	77	18	.	.	PUNCT
dti-1366	78	1	however	however	ADV
dti-1366	78	2	,	,	PUNCT
dti-1366	78	3	some	some	DET
dti-1366	78	4	groups	group	NOUN
dti-1366	78	5	,	,	PUNCT
dti-1366	78	6	such	such	ADJ
dti-1366	78	7	as	as	ADP
dti-1366	78	8	anhydride	anhydride	NOUN
dti-1366	78	9	,	,	PUNCT
dti-1366	78	10	epoxide	epoxide	NOUN
dti-1366	78	11	,	,	PUNCT
dti-1366	78	12	acyl	acyl	NOUN
dti-1366	78	13	halide	halide	NOUN
dti-1366	78	14	,	,	PUNCT
dti-1366	78	15	thiol	thiol	NOUN
dti-1366	78	16	,	,	PUNCT
dti-1366	78	17	thiourea	thiourea	NOUN
dti-1366	78	18	,	,	PUNCT
dti-1366	78	19	aliphatic	aliphatic	ADJ
dti-1366	78	20	imine	imine	NOUN
dti-1366	78	21	,	,	PUNCT
dti-1366	78	22	and	and	CCONJ
dti-1366	78	23	acrylamide	acrylamide	NOUN
dti-1366	78	24	,	,	PUNCT
dti-1366	78	25	are	be	AUX
dti-1366	78	26	potentially	potentially	ADV
dti-1366	78	27	toxic	toxic	ADJ
dti-1366	78	28	and	and	CCONJ
dti-1366	78	29	harmful	harmful	ADJ
dti-1366	78	30	because	because	SCONJ
dti-1366	78	31	they	they	PRON
dti-1366	78	32	are	be	AUX
dti-1366	78	33	likely	likely	ADJ
dti-1366	78	34	to	to	PART
dti-1366	78	35	undergo	undergo	VERB
dti-1366	78	36	metabolic	metabolic	NOUN
dti-1366	78	37	activation.45,46	activation.45,46	NOUN
dti-1366	78	38	the	the	DET
dti-1366	78	39	ns5	ns5	NOUN
dti-1366	78	40	methyltransferase	methyltransferase	NOUN
dti-1366	78	41	enzyme	enzyme	NOUN
dti-1366	78	42	has	have	VERB
dti-1366	78	43	2	2	NUM
dti-1366	78	44	binding	bind	VERB
dti-1366	78	45	sites	site	NOUN
dti-1366	78	46	that	that	PRON
dti-1366	78	47	are	be	AUX
dti-1366	78	48	connected	connect	VERB
dti-1366	78	49	by	by	ADP
dti-1366	78	50	a	a	DET
dti-1366	78	51	y	y	ADV
dti-1366	78	52	-	-	PUNCT
dti-1366	78	53	shaped	shape	VERB
dti-1366	78	54	slit	slit	NOUN
dti-1366	78	55	.	.	PUNCT
dti-1366	79	1	the	the	DET
dti-1366	79	2	first	first	ADJ
dti-1366	79	3	one	one	NOUN
dti-1366	79	4	is	be	AUX
dti-1366	79	5	the	the	DET
dti-1366	79	6	sam	sam	NOUN
dti-1366	79	7	-	-	PUNCT
dti-1366	79	8	binding	bind	VERB
dti-1366	79	9	(	(	PUNCT
dti-1366	79	10	methyl	methyl	NOUN
dti-1366	79	11	group	group	NOUN
dti-1366	79	12	donor	donor	NOUN
dti-1366	79	13	)	)	PUNCT
dti-1366	79	14	site	site	NOUN
dti-1366	79	15	,	,	PUNCT
dti-1366	79	16	whereas	whereas	SCONJ
dti-1366	79	17	the	the	DET
dti-1366	79	18	second	second	NOUN
dti-1366	79	19	is	be	AUX
dti-1366	79	20	the	the	DET
dti-1366	79	21	rna	rna	NOUN
dti-1366	79	22	-	-	PUNCT
dti-1366	79	23	cap	cap	NOUN
dti-1366	79	24	–	–	PUNCT
dti-1366	79	25	binding	bind	VERB
dti-1366	79	26	site.47	site.47	NOUN
dti-1366	79	27	in	in	ADP
dti-1366	79	28	this	this	DET
dti-1366	79	29	study	study	NOUN
dti-1366	79	30	,	,	PUNCT
dti-1366	79	31	the	the	DET
dti-1366	79	32	modification	modification	NOUN
dti-1366	79	33	of	of	ADP
dti-1366	79	34	the	the	DET
dti-1366	79	35	sah	sah	NOUN
dti-1366	79	36	ligand	ligand	NOUN
dti-1366	79	37	was	be	AUX
dti-1366	79	38	conducted	conduct	VERB
dti-1366	79	39	based	base	VERB
dti-1366	79	40	on	on	ADP
dti-1366	79	41	the	the	DET
dti-1366	79	42	polarity	polarity	NOUN
dti-1366	79	43	and	and	CCONJ
dti-1366	79	44	shape	shape	NOUN
dti-1366	79	45	of	of	ADP
dti-1366	79	46	the	the	DET
dti-1366	79	47	sam	sam	NOUN
dti-1366	79	48	-	-	PUNCT
dti-1366	79	49	binding	bind	VERB
dti-1366	79	50	site	site	NOUN
dti-1366	79	51	(	(	PUNCT
dti-1366	79	52	figure	figure	NOUN
dti-1366	79	53	1	1	NUM
dti-1366	79	54	)	)	PUNCT
dti-1366	79	55	.	.	PUNCT
dti-1366	80	1	the	the	DET
dti-1366	80	2	sam	sam	PROPN
dti-1366	80	3	-	-	PUNCT
dti-1366	80	4	binding	bind	VERB
dti-1366	80	5	site	site	NOUN
dti-1366	80	6	itself	itself	PRON
dti-1366	80	7	consists	consist	VERB
dti-1366	80	8	of	of	ADP
dti-1366	80	9	14	14	NUM
dti-1366	80	10	amino	amino	ADJ
dti-1366	80	11	acids	acid	NOUN
dti-1366	80	12	(	(	PUNCT
dti-1366	80	13	ser56	ser56	PROPN
dti-1366	80	14	,	,	PUNCT
dti-1366	80	15	lys61	lys61	ADJ
dti-1366	80	16	,	,	PUNCT
dti-1366	80	17	cys82	cys82	PROPN
dti-1366	80	18	,	,	PUNCT
dti-1366	80	19	gly86	gly86	PROPN
dti-1366	80	20	,	,	PUNCT
dti-1366	80	21	trp87	trp87	PROPN
dti-1366	80	22	,	,	PUNCT
dti-1366	80	23	thr104	thr104	PROPN
dti-1366	80	24	,	,	PUNCT
dti-1366	80	25	lys105	lys105	PROPN
dti-1366	80	26	,	,	PUNCT
dti-1366	80	27	asp131	asp131	PROPN
dti-1366	80	28	,	,	PUNCT
dti-1366	80	29	val132	val132	PROPN
dti-1366	80	30	,	,	PUNCT
dti-1366	80	31	phe133	phe133	PROPN
dti-1366	80	32	,	,	PUNCT
dti-1366	80	33	asp146	asp146	NOUN
dti-1366	80	34	,	,	PUNCT
dti-1366	80	35	ile147	ile147	PROPN
dti-1366	80	36	,	,	PUNCT
dti-1366	80	37	lys181	lys181	PROPN
dti-1366	80	38	,	,	PUNCT
dti-1366	80	39	and	and	CCONJ
dti-1366	80	40	glu217	glu217	NOUN
dti-1366	80	41	)	)	PUNCT
dti-1366	80	42	that	that	PRON
dti-1366	80	43	could	could	AUX
dti-1366	80	44	be	be	AUX
dti-1366	80	45	selected	select	VERB
dti-1366	80	46	as	as	ADP
dti-1366	80	47	a	a	DET
dti-1366	80	48	drug	drug	NOUN
dti-1366	80	49	target	target	NOUN
dti-1366	80	50	for	for	ADP
dti-1366	80	51	ns5	ns5	PROPN
dti-1366	80	52	methyltransferase.48	methyltransferase.48	PROPN
dti-1366	80	53	therefore	therefore	ADV
dti-1366	80	54	,	,	PUNCT
dti-1366	80	55	the	the	DET
dti-1366	80	56	modification	modification	NOUN
dti-1366	80	57	of	of	ADP
dti-1366	80	58	sah	sah	PROPN
dti-1366	80	59	ligand	ligand	PROPN
dti-1366	80	60	should	should	AUX
dti-1366	80	61	fit	fit	VERB
dti-1366	80	62	with	with	ADP
dti-1366	80	63	the	the	DET
dti-1366	80	64	sam	sam	NOUN
dti-1366	80	65	-	-	PUNCT
dti-1366	80	66	binding	bind	VERB
dti-1366	80	67	site	site	NOUN
dti-1366	80	68	.	.	PUNCT
dti-1366	81	1	the	the	DET
dti-1366	81	2	functional	functional	ADJ
dti-1366	81	3	groups	group	NOUN
dti-1366	81	4	used	use	VERB
dti-1366	81	5	in	in	ADP
dti-1366	81	6	the	the	DET
dti-1366	81	7	sah	sah	NOUN
dti-1366	81	8	modification	modification	NOUN
dti-1366	81	9	are	be	AUX
dti-1366	81	10	alcohols	alcohol	NOUN
dti-1366	81	11	,	,	PUNCT
dti-1366	81	12	esters	ester	NOUN
dti-1366	81	13	,	,	PUNCT
dti-1366	81	14	aldehydes	aldehyde	NOUN
dti-1366	81	15	,	,	PUNCT
dti-1366	81	16	ketones	ketone	NOUN
dti-1366	81	17	,	,	PUNCT
dti-1366	81	18	amides	amide	NOUN
dti-1366	81	19	,	,	PUNCT
dti-1366	81	20	amines	amine	NOUN
dti-1366	81	21	,	,	PUNCT
dti-1366	81	22	and	and	CCONJ
dti-1366	81	23	carboxylic	carboxylic	ADJ
dti-1366	81	24	acids	acid	NOUN
dti-1366	81	25	.	.	PUNCT
dti-1366	82	1	these	these	DET
dti-1366	82	2	groups	group	NOUN
dti-1366	82	3	were	be	AUX
dti-1366	82	4	chosen	choose	VERB
dti-1366	82	5	because	because	SCONJ
dti-1366	82	6	they	they	PRON
dti-1366	82	7	are	be	AUX
dti-1366	82	8	commonly	commonly	ADV
dti-1366	82	9	found	find	VERB
dti-1366	82	10	in	in	ADP
dti-1366	82	11	the	the	DET
dti-1366	82	12	marketed	market	VERB
dti-1366	82	13	drugs	drug	NOUN
dti-1366	82	14	and	and	CCONJ
dti-1366	82	15	used	use	VERB
dti-1366	82	16	in	in	ADP
dti-1366	82	17	the	the	DET
dti-1366	82	18	drug	drug	NOUN
dti-1366	82	19	design	design	NOUN
dti-1366	82	20	and	and	CCONJ
dti-1366	82	21	development	development	NOUN
dti-1366	82	22	studies.49	studies.49	NOUN
dti-1366	82	23	based	base	VERB
dti-1366	82	24	on	on	ADP
dti-1366	82	25	the	the	DET
dti-1366	82	26	molecular	molecular	ADJ
dti-1366	82	27	structure	structure	NOUN
dti-1366	82	28	,	,	PUNCT
dti-1366	82	29	the	the	DET
dti-1366	82	30	sah	sah	PROPN
dti-1366	82	31	modification	modification	NOUN
dti-1366	82	32	took	take	VERB
dti-1366	82	33	place	place	NOUN
dti-1366	82	34	at	at	ADP
dti-1366	82	35	5	5	NUM
dti-1366	82	36	different	different	ADJ
dti-1366	82	37	functional	functional	ADJ
dti-1366	82	38	group	group	NOUN
dti-1366	82	39	sites	site	NOUN
dti-1366	82	40	that	that	PRON
dti-1366	82	41	are	be	AUX
dti-1366	82	42	mentioned	mention	VERB
dti-1366	82	43	earlier	early	ADV
dti-1366	82	44	in	in	ADP
dti-1366	82	45	this	this	DET
dti-1366	82	46	article	article	NOUN
dti-1366	82	47	(	(	PUNCT
dti-1366	82	48	figure	figure	NOUN
dti-1366	82	49	2	2	NUM
dti-1366	82	50	)	)	PUNCT
dti-1366	82	51	.	.	PUNCT
dti-1366	83	1	before	before	SCONJ
dti-1366	83	2	the	the	DET
dti-1366	83	3	sah	sah	NOUN
dti-1366	83	4	modification	modification	NOUN
dti-1366	83	5	was	be	AUX
dti-1366	83	6	done	do	VERB
dti-1366	83	7	and	and	CCONJ
dti-1366	83	8	drawn	draw	VERB
dti-1366	83	9	,	,	PUNCT
dti-1366	83	10	we	we	PRON
dti-1366	83	11	made	make	VERB
dti-1366	83	12	a	a	DET
dti-1366	83	13	list	list	NOUN
dti-1366	83	14	of	of	ADP
dti-1366	83	15	the	the	DET
dti-1366	83	16	modification	modification	NOUN
dti-1366	83	17	of	of	ADP
dti-1366	83	18	the	the	DET
dti-1366	83	19	respective	respective	ADJ
dti-1366	83	20	functional	functional	ADJ
dti-1366	83	21	group	group	NOUN
dti-1366	83	22	to	to	PART
dti-1366	83	23	simplify	simplify	VERB
dti-1366	83	24	the	the	DET
dti-1366	83	25	drawing	drawing	NOUN
dti-1366	83	26	process	process	NOUN
dti-1366	83	27	,	,	PUNCT
dti-1366	83	28	and	and	CCONJ
dti-1366	83	29	so	so	ADV
dti-1366	83	30	,	,	PUNCT
dti-1366	83	31	there	there	PRON
dti-1366	83	32	are	be	VERB
dti-1366	83	33	no	no	DET
dti-1366	83	34	identical	identical	ADJ
dti-1366	83	35	compounds	compound	NOUN
dti-1366	83	36	in	in	ADP
dti-1366	83	37	the	the	DET
dti-1366	83	38	resulting	result	VERB
dti-1366	83	39	3460	3460	NUM
dti-1366	83	40	sah	sah	NOUN
dti-1366	83	41	-	-	PUNCT
dti-1366	83	42	based	base	VERB
dti-1366	83	43	ligands	ligand	NOUN
dti-1366	83	44	.	.	PUNCT
dti-1366	84	1	also	also	ADV
dti-1366	84	2	,	,	PUNCT
dti-1366	84	3	3	3	NUM
dti-1366	84	4	standard	standard	ADJ
dti-1366	84	5	ligands	ligand	NOUN
dti-1366	84	6	were	be	AUX
dti-1366	84	7	drawn	draw	VERB
dti-1366	84	8	:	:	PUNCT
dti-1366	84	9	sah	sah	PROPN
dti-1366	84	10	,	,	PUNCT
dti-1366	84	11	sam	sam	PROPN
dti-1366	84	12	,	,	PUNCT
dti-1366	84	13	and	and	CCONJ
dti-1366	84	14	ctwyc	ctwyc	PROPN
dti-1366	84	15	ligand	ligand	PROPN
dti-1366	84	16	(	(	PUNCT
dti-1366	84	17	a	a	DET
dti-1366	84	18	cyclic	cyclic	ADJ
dti-1366	84	19	peptide	peptide	NOUN
dti-1366	84	20	compound	compound	NOUN
dti-1366	84	21	)	)	PUNCT
dti-1366	84	22	;	;	PUNCT
dti-1366	84	23	the	the	DET
dti-1366	84	24	former	former	ADJ
dti-1366	84	25	2	2	NUM
dti-1366	84	26	compounds	compound	NOUN
dti-1366	84	27	were	be	AUX
dti-1366	84	28	used	use	VERB
dti-1366	84	29	as	as	ADP
dti-1366	84	30	a	a	DET
dti-1366	84	31	natural	natural	ADJ
dti-1366	84	32	substrate	substrate	NOUN
dti-1366	84	33	of	of	ADP
dti-1366	84	34	ns5	ns5	NOUN
dti-1366	84	35	methyltransferase	methyltransferase	NOUN
dti-1366	84	36	enzyme	enzyme	NOUN
dti-1366	84	37	,	,	PUNCT
dti-1366	84	38	whereas	whereas	SCONJ
dti-1366	84	39	the	the	DET
dti-1366	84	40	latter	latter	ADJ
dti-1366	84	41	compound	compound	NOUN
dti-1366	84	42	was	be	AUX
dti-1366	84	43	the	the	DET
dti-1366	84	44	best	good	ADJ
dti-1366	84	45	ligand	ligand	NOUN
dti-1366	84	46	from	from	ADP
dti-1366	84	47	our	our	PRON
dti-1366	84	48	previous	previous	ADJ
dti-1366	84	49	studies.50	studies.50	NOUN
dti-1366	84	50	each	each	DET
dti-1366	84	51	ligand	ligand	NOUN
dti-1366	84	52	was	be	AUX
dti-1366	84	53	drawn	draw	VERB
dti-1366	84	54	using	use	VERB
dti-1366	84	55	chemsketch	chemsketch	NOUN
dti-1366	84	56	acd	acd	PROPN
dti-1366	84	57	/	/	SYM
dti-1366	84	58	labs	lab	NOUN
dti-1366	84	59	software	software	NOUN
dti-1366	84	60	and	and	CCONJ
dti-1366	84	61	stored	store	VERB
dti-1366	84	62	in	in	ADP
dti-1366	84	63	mdl	mdl	PROPN
dti-1366	84	64	molfiles	molfile	NOUN
dti-1366	84	65	(	(	PUNCT
dti-1366	84	66	v2000	v2000	NOUN
dti-1366	84	67	)	)	PUNCT
dti-1366	84	68	(	(	PUNCT
dti-1366	84	69	.mol	.mol	NOUN
dti-1366	84	70	)	)	PUNCT
dti-1366	84	71	format	format	NOUN
dti-1366	84	72	.	.	PUNCT
dti-1366	85	1	then	then	ADV
dti-1366	85	2	,	,	PUNCT
dti-1366	85	3	all	all	DET
dti-1366	85	4	ligands	ligand	NOUN
dti-1366	85	5	were	be	AUX
dti-1366	85	6	http://www.organic-chemistry.org	http://www.organic-chemistry.org	PROPN
dti-1366	85	7	http://www.organic-chemistry.org	http://www.organic-chemistry.org	X
dti-1366	85	8	http://ilab.acdlabs.com	http://ilab.acdlabs.com	PROPN
dti-1366	85	9	http://ilab.acdlabs.com	http://ilab.acdlabs.com	PROPN
dti-1366	85	10	4	4	NUM
dti-1366	85	11	drug	drug	NOUN
dti-1366	85	12	target	target	NOUN
dti-1366	85	13	insights	insight	NOUN
dti-1366	85	14	optimized	optimize	VERB
dti-1366	85	15	using	use	VERB
dti-1366	85	16	the	the	DET
dti-1366	85	17	vegazz	vegazz	NOUN
dti-1366	85	18	software	software	NOUN
dti-1366	85	19	before	before	SCONJ
dti-1366	85	20	the	the	DET
dti-1366	85	21	docking	docking	NOUN
dti-1366	85	22	process	process	NOUN
dti-1366	85	23	proceeded	proceed	VERB
dti-1366	85	24	.	.	PUNCT
dti-1366	86	1	the	the	DET
dti-1366	86	2	ligand	ligand	ADJ
dti-1366	86	3	optimization	optimization	NOUN
dti-1366	86	4	was	be	AUX
dti-1366	86	5	further	far	ADV
dti-1366	86	6	performed	perform	VERB
dti-1366	86	7	using	use	VERB
dti-1366	86	8	moe	moe	NOUN
dti-1366	86	9	2008.10	2008.10	NUM
dti-1366	86	10	software	software	NOUN
dti-1366	86	11	;	;	PUNCT
dti-1366	86	12	this	this	DET
dti-1366	86	13	optimization	optimization	NOUN
dti-1366	86	14	includes	include	VERB
dti-1366	86	15	geometry	geometry	NOUN
dti-1366	86	16	optimization	optimization	NOUN
dti-1366	86	17	and	and	CCONJ
dti-1366	86	18	energy	energy	NOUN
dti-1366	86	19	minimization	minimization	NOUN
dti-1366	86	20	.	.	PUNCT
dti-1366	87	1	furthermore	furthermore	ADV
dti-1366	87	2	,	,	PUNCT
dti-1366	87	3	the	the	DET
dti-1366	87	4	optimization	optimization	NOUN
dti-1366	87	5	of	of	ADP
dti-1366	87	6	the	the	DET
dti-1366	87	7	ligand	ligand	NOUN
dti-1366	87	8	was	be	AUX
dti-1366	87	9	done	do	VERB
dti-1366	87	10	using	use	VERB
dti-1366	87	11	mmff94x	mmff94x	ADJ
dti-1366	87	12	force	force	NOUN
dti-1366	87	13	field	field	NOUN
dti-1366	87	14	;	;	PUNCT
dti-1366	87	15	this	this	PRON
dti-1366	87	16	was	be	AUX
dti-1366	87	17	done	do	VERB
dti-1366	87	18	because	because	SCONJ
dti-1366	87	19	this	this	DET
dti-1366	87	20	force	force	NOUN
dti-1366	87	21	field	field	NOUN
dti-1366	87	22	is	be	AUX
dti-1366	87	23	frequently	frequently	ADV
dti-1366	87	24	used	use	VERB
dti-1366	87	25	to	to	PART
dti-1366	87	26	optimize	optimize	VERB
dti-1366	87	27	the	the	DET
dti-1366	87	28	small	small	ADJ
dti-1366	87	29	-	-	PUNCT
dti-1366	87	30	molecule	molecule	NOUN
dti-1366	87	31	structures	structure	NOUN
dti-1366	87	32	that	that	PRON
dti-1366	87	33	can	can	AUX
dti-1366	87	34	be	be	AUX
dti-1366	87	35	used	use	VERB
dti-1366	87	36	later	later	ADV
dti-1366	87	37	for	for	ADP
dti-1366	87	38	molecular	molecular	ADJ
dti-1366	87	39	docking	docking	NOUN
dti-1366	87	40	purpose	purpose	NOUN
dti-1366	87	41	.	.	PUNCT
dti-1366	88	1	then	then	ADV
dti-1366	88	2	,	,	PUNCT
dti-1366	88	3	the	the	DET
dti-1366	88	4	“	"	PUNCT
dti-1366	88	5	partial	partial	ADJ
dti-1366	88	6	charge	charge	NOUN
dti-1366	88	7	”	"	PUNCT
dti-1366	88	8	protocol	protocol	NOUN
dti-1366	88	9	was	be	AUX
dti-1366	88	10	conducted	conduct	VERB
dti-1366	88	11	as	as	ADV
dti-1366	88	12	well	well	ADV
dti-1366	88	13	to	to	PART
dti-1366	88	14	nullify	nullify	VERB
dti-1366	88	15	the	the	DET
dti-1366	88	16	binding	bind	VERB
dti-1366	88	17	energy	energy	NOUN
dti-1366	88	18	that	that	PRON
dti-1366	88	19	occurs	occur	VERB
dti-1366	88	20	outside	outside	ADP
dti-1366	88	21	the	the	DET
dti-1366	88	22	system	system	NOUN
dti-1366	88	23	,	,	PUNCT
dti-1366	88	24	as	as	ADV
dti-1366	88	25	well	well	ADV
dti-1366	88	26	as	as	ADP
dti-1366	88	27	balancing	balance	VERB
dti-1366	88	28	the	the	DET
dti-1366	88	29	charge	charge	NOUN
dti-1366	88	30	’s	’s	PART
dti-1366	88	31	system	system	NOUN
dti-1366	88	32	so	so	SCONJ
dti-1366	88	33	that	that	SCONJ
dti-1366	88	34	the	the	DET
dti-1366	88	35	docking	docking	NOUN
dti-1366	88	36	process	process	NOUN
dti-1366	88	37	can	can	AUX
dti-1366	88	38	be	be	AUX
dti-1366	88	39	run	run	VERB
dti-1366	88	40	smoothly	smoothly	ADV
dti-1366	88	41	.	.	PUNCT
dti-1366	89	1	afterward	afterward	ADV
dti-1366	89	2	,	,	PUNCT
dti-1366	89	3	energy	energy	NOUN
dti-1366	89	4	minimization	minimization	NOUN
dti-1366	89	5	was	be	AUX
dti-1366	89	6	done	do	VERB
dti-1366	89	7	to	to	PART
dti-1366	89	8	eliminate	eliminate	VERB
dti-1366	89	9	the	the	DET
dti-1366	89	10	undesirable	undesirable	ADJ
dti-1366	89	11	interaction	interaction	NOUN
dti-1366	89	12	in	in	ADP
dti-1366	89	13	the	the	DET
dti-1366	89	14	ligand	ligand	ADJ
dti-1366	89	15	structure	structure	NOUN
dti-1366	89	16	,	,	PUNCT
dti-1366	89	17	such	such	ADJ
dti-1366	89	18	as	as	ADP
dti-1366	89	19	unfit	unfit	ADJ
dti-1366	89	20	,	,	PUNCT
dti-1366	89	21	yet	yet	CCONJ
dti-1366	89	22	unlikely	unlikely	ADJ
dti-1366	89	23	van	van	PROPN
dti-1366	89	24	der	der	NOUN
dti-1366	89	25	waals	waal	NOUN
dti-1366	89	26	forces	force	NOUN
dti-1366	89	27	,	,	PUNCT
dti-1366	89	28	and	and	CCONJ
dti-1366	89	29	to	to	PART
dti-1366	89	30	minimize	minimize	VERB
dti-1366	89	31	the	the	DET
dti-1366	89	32	steric	steric	ADJ
dti-1366	89	33	effect	effect	NOUN
dti-1366	89	34	that	that	PRON
dti-1366	89	35	may	may	AUX
dti-1366	89	36	occur	occur	VERB
dti-1366	89	37	in	in	ADP
dti-1366	89	38	the	the	DET
dti-1366	89	39	system	system	NOUN
dti-1366	89	40	.	.	PUNCT
dti-1366	90	1	the	the	DET
dti-1366	90	2	minimization	minimization	NOUN
dti-1366	90	3	was	be	AUX
dti-1366	90	4	done	do	VERB
dti-1366	90	5	at	at	ADP
dti-1366	90	6	an	an	DET
dti-1366	90	7	rms	rm	NOUN
dti-1366	90	8	gradient	gradient	NOUN
dti-1366	90	9	of	of	ADP
dti-1366	90	10	0.001	0.001	NUM
dti-1366	90	11	kcal	kcal	NOUN
dti-1366	90	12	/	/	SYM
dti-1366	90	13	å.51	å.51	PROPN
dti-1366	90	14	in	in	ADP
dti-1366	90	15	general	general	ADJ
dti-1366	90	16	,	,	PUNCT
dti-1366	90	17	the	the	DET
dti-1366	90	18	aim	aim	NOUN
dti-1366	90	19	of	of	ADP
dti-1366	90	20	ligand	ligand	ADJ
dti-1366	90	21	optimization	optimization	NOUN
dti-1366	90	22	itself	itself	PRON
dti-1366	90	23	is	be	AUX
dti-1366	90	24	to	to	PART
dti-1366	90	25	eliminate	eliminate	VERB
dti-1366	90	26	any	any	DET
dti-1366	90	27	bad	bad	ADJ
dti-1366	90	28	contact	contact	NOUN
dti-1366	90	29	in	in	ADP
dti-1366	90	30	the	the	DET
dti-1366	90	31	system	system	NOUN
dti-1366	90	32	and	and	CCONJ
dti-1366	90	33	to	to	PART
dti-1366	90	34	generate	generate	VERB
dti-1366	90	35	the	the	DET
dti-1366	90	36	actual	actual	ADJ
dti-1366	90	37	geometry	geometry	NOUN
dti-1366	90	38	of	of	ADP
dti-1366	90	39	structure	structure	NOUN
dti-1366	90	40	that	that	PRON
dti-1366	90	41	may	may	AUX
dti-1366	90	42	occur	occur	VERB
dti-1366	90	43	in	in	ADP
dti-1366	90	44	nature	nature	NOUN
dti-1366	90	45	.	.	PUNCT
dti-1366	91	1	preparation	preparation	NOUN
dti-1366	91	2	of	of	ADP
dti-1366	91	3	the	the	DET
dti-1366	91	4	ns5	ns5	PROPN
dti-1366	91	5	methyltransferase	methyltransferase	NOUN
dti-1366	91	6	denv	denv	NOUN
dti-1366	91	7	searching	searching	NOUN
dti-1366	91	8	of	of	ADP
dti-1366	91	9	ns5	ns5	NOUN
dti-1366	91	10	methyltransferase	methyltransferase	NOUN
dti-1366	91	11	enzyme	enzyme	NOUN
dti-1366	91	12	sequences	sequence	NOUN
dti-1366	91	13	.	.	PUNCT
dti-1366	92	1	the	the	DET
dti-1366	92	2	ns5	ns5	NOUN
dti-1366	92	3	methyltransferase	methyltransferase	NOUN
dti-1366	92	4	enzyme	enzyme	NOUN
dti-1366	92	5	sequences	sequence	NOUN
dti-1366	92	6	are	be	AUX
dti-1366	92	7	searchable	searchable	ADJ
dti-1366	92	8	at	at	ADP
dti-1366	92	9	ncbi	ncbi	PROPN
dti-1366	92	10	web	web	NOUN
dti-1366	92	11	site	site	NOUN
dti-1366	92	12	,	,	PUNCT
dti-1366	92	13	with	with	ADP
dti-1366	92	14	“	"	PUNCT
dti-1366	92	15	dengue	dengue	NOUN
dti-1366	92	16	methyltransferase	methyltransferase	NOUN
dti-1366	92	17	”	"	PUNCT
dti-1366	92	18	as	as	ADP
dti-1366	92	19	the	the	DET
dti-1366	92	20	keywords	keyword	NOUN
dti-1366	92	21	in	in	ADP
dti-1366	92	22	“	"	PUNCT
dti-1366	92	23	protein	protein	NOUN
dti-1366	92	24	sequences	sequence	NOUN
dti-1366	92	25	”	"	PUNCT
dti-1366	92	26	selection	selection	NOUN
dti-1366	92	27	.	.	PUNCT
dti-1366	93	1	in	in	ADP
dti-1366	93	2	this	this	DET
dti-1366	93	3	step	step	NOUN
dti-1366	93	4	,	,	PUNCT
dti-1366	93	5	we	we	PRON
dti-1366	93	6	obtained	obtain	VERB
dti-1366	93	7	thousands	thousand	NOUN
dti-1366	93	8	of	of	ADP
dti-1366	93	9	sequences	sequence	NOUN
dti-1366	93	10	that	that	PRON
dti-1366	93	11	match	match	VERB
dti-1366	93	12	the	the	DET
dti-1366	93	13	keywords	keyword	NOUN
dti-1366	93	14	,	,	PUNCT
dti-1366	93	15	but	but	CCONJ
dti-1366	93	16	we	we	PRON
dti-1366	93	17	further	far	ADV
dti-1366	93	18	eliminated	eliminate	VERB
dti-1366	93	19	these	these	DET
dti-1366	93	20	sequences	sequence	NOUN
dti-1366	93	21	with	with	ADP
dti-1366	93	22	only	only	ADV
dti-1366	93	23	12	12	NUM
dti-1366	93	24	sequences	sequence	NOUN
dti-1366	93	25	left	leave	VERB
dti-1366	93	26	because	because	SCONJ
dti-1366	93	27	we	we	PRON
dti-1366	93	28	wanted	want	VERB
dti-1366	93	29	to	to	PART
dti-1366	93	30	use	use	VERB
dti-1366	93	31	“	"	PUNCT
dti-1366	93	32	chain	chain	VERB
dti-1366	93	33	a	a	DET
dti-1366	93	34	dengue	dengue	NOUN
dti-1366	93	35	methyltransferase	methyltransferase	NOUN
dti-1366	93	36	”	"	PUNCT
dti-1366	93	37	as	as	SCONJ
dti-1366	93	38	this	this	DET
dti-1366	93	39	sequence	sequence	NOUN
dti-1366	93	40	has	have	VERB
dti-1366	93	41	the	the	DET
dti-1366	93	42	crystal	crystal	NOUN
dti-1366	93	43	structure	structure	NOUN
dti-1366	93	44	in	in	ADP
dti-1366	93	45	rcsb	rcsb	PROPN
dti-1366	93	46	pdb	pdb	PROPN
dti-1366	93	47	database	database	NOUN
dti-1366	93	48	and	and	CCONJ
dti-1366	93	49	is	be	AUX
dti-1366	93	50	widely	widely	ADV
dti-1366	93	51	used	use	VERB
dti-1366	93	52	in	in	ADP
dti-1366	93	53	the	the	DET
dti-1366	93	54	dengue	dengue	NOUN
dti-1366	93	55	research	research	NOUN
dti-1366	93	56	field	field	NOUN
dti-1366	93	57	.	.	PUNCT
dti-1366	94	1	these	these	DET
dti-1366	94	2	12	12	NUM
dti-1366	94	3	sequences	sequence	NOUN
dti-1366	94	4	were	be	AUX
dti-1366	94	5	saved	save	VERB
dti-1366	94	6	in	in	ADP
dti-1366	94	7	fasta	fasta	PROPN
dti-1366	94	8	format	format	NOUN
dti-1366	94	9	so	so	SCONJ
dti-1366	94	10	that	that	SCONJ
dti-1366	94	11	it	it	PRON
dti-1366	94	12	can	can	AUX
dti-1366	94	13	later	later	ADV
dti-1366	94	14	be	be	AUX
dti-1366	94	15	used	use	VERB
dti-1366	94	16	for	for	ADP
dti-1366	94	17	the	the	DET
dti-1366	94	18	msa	msa	PROPN
dti-1366	94	19	step	step	NOUN
dti-1366	94	20	.	.	PUNCT
dti-1366	95	1	multiple	multiple	ADJ
dti-1366	95	2	sequence	sequence	NOUN
dti-1366	95	3	alignment	alignment	NOUN
dti-1366	95	4	the	the	DET
dti-1366	95	5	aim	aim	NOUN
dti-1366	95	6	of	of	ADP
dti-1366	95	7	the	the	DET
dti-1366	95	8	msa	msa	PROPN
dti-1366	95	9	step	step	NOUN
dti-1366	95	10	is	be	AUX
dti-1366	95	11	to	to	PART
dti-1366	95	12	align	align	VERB
dti-1366	95	13	all	all	DET
dti-1366	95	14	the	the	DET
dti-1366	95	15	leftover	leftover	NOUN
dti-1366	95	16	sequences	sequence	NOUN
dti-1366	95	17	to	to	PART
dti-1366	95	18	obtain	obtain	VERB
dti-1366	95	19	the	the	DET
dti-1366	95	20	best	good	ADJ
dti-1366	95	21	sequence	sequence	NOUN
dti-1366	95	22	that	that	PRON
dti-1366	95	23	will	will	AUX
dti-1366	95	24	be	be	AUX
dti-1366	95	25	used	use	VERB
dti-1366	95	26	in	in	ADP
dti-1366	95	27	the	the	DET
dti-1366	95	28	later	later	ADJ
dti-1366	95	29	process	process	NOUN
dti-1366	95	30	.	.	PUNCT
dti-1366	96	1	this	this	DET
dti-1366	96	2	alignment	alignment	NOUN
dti-1366	96	3	was	be	AUX
dti-1366	96	4	done	do	VERB
dti-1366	96	5	using	use	VERB
dti-1366	96	6	clustalw	clustalw	PROPN
dti-1366	96	7	software	software	NOUN
dti-1366	96	8	via	via	ADP
dti-1366	96	9	european	european	ADJ
dti-1366	96	10	molecular	molecular	ADJ
dti-1366	96	11	biology	biology	NOUN
dti-1366	96	12	laboratory	laboratory	NOUN
dti-1366	96	13	(	(	PUNCT
dti-1366	96	14	embl	embl	PROPN
dti-1366	96	15	)	)	PUNCT
dti-1366	96	16	european	european	PROPN
dti-1366	96	17	bioinformatics	bioinformatics	PROPN
dti-1366	96	18	institute	institute	PROPN
dti-1366	96	19	web	web	NOUN
dti-1366	96	20	site	site	NOUN
dti-1366	96	21	(	(	PUNCT
dti-1366	96	22	http://www.ebi.ac.uk	http://www.ebi.ac.uk	PROPN
dti-1366	96	23	)	)	PUNCT
dti-1366	96	24	.	.	PUNCT
dti-1366	97	1	based	base	VERB
dti-1366	97	2	on	on	ADP
dti-1366	97	3	the	the	DET
dti-1366	97	4	result	result	NOUN
dti-1366	97	5	of	of	ADP
dti-1366	97	6	alignment	alignment	NOUN
dti-1366	97	7	,	,	PUNCT
dti-1366	97	8	we	we	PRON
dti-1366	97	9	obtained	obtain	VERB
dti-1366	97	10	7	7	NUM
dti-1366	97	11	pdb	pdb	PROPN
dti-1366	97	12	sequences	sequence	NOUN
dti-1366	97	13	that	that	PRON
dti-1366	97	14	have	have	VERB
dti-1366	97	15	high	high	ADJ
dti-1366	97	16	similarity	similarity	NOUN
dti-1366	97	17	among	among	ADP
dti-1366	97	18	the	the	DET
dti-1366	97	19	12	12	NUM
dti-1366	97	20	sequences	sequence	NOUN
dti-1366	97	21	,	,	PUNCT
dti-1366	97	22	which	which	PRON
dti-1366	97	23	were	be	AUX
dti-1366	97	24	2p3l	2p3l	NUM
dti-1366	97	25	,	,	PUNCT
dti-1366	97	26	2p40	2p40	NUM
dti-1366	97	27	,	,	PUNCT
dti-1366	97	28	2p3o	2p3o	NOUN
dti-1366	97	29	,	,	PUNCT
dti-1366	97	30	2p41	2p41	NUM
dti-1366	97	31	,	,	PUNCT
dti-1366	97	32	2p3q	2p3q	NUM
dti-1366	97	33	,	,	PUNCT
dti-1366	97	34	2p1d	2p1d	NOUN
dti-1366	97	35	,	,	PUNCT
dti-1366	97	36	and	and	CCONJ
dti-1366	97	37	1l9k	1l9k	ADJ
dti-1366	97	38	.	.	PUNCT
dti-1366	98	1	of	of	ADP
dti-1366	98	2	these	these	DET
dti-1366	98	3	sequences	sequence	NOUN
dti-1366	98	4	,	,	PUNCT
dti-1366	98	5	we	we	PRON
dti-1366	98	6	chose	choose	VERB
dti-1366	98	7	2p4152	2p4152	PROPN
dti-1366	98	8	because	because	SCONJ
dti-1366	98	9	this	this	DET
dti-1366	98	10	pdb	pdb	NOUN
dti-1366	98	11	has	have	VERB
dti-1366	98	12	the	the	DET
dti-1366	98	13	lowest	low	ADJ
dti-1366	98	14	resolution	resolution	NOUN
dti-1366	98	15	(	(	PUNCT
dti-1366	98	16	at	at	ADP
dti-1366	98	17	0.18	0.18	NUM
dti-1366	98	18	nm	nm	NOUN
dti-1366	98	19	)	)	PUNCT
dti-1366	98	20	.	.	PUNCT
dti-1366	99	1	in	in	ADP
dti-1366	99	2	addition	addition	NOUN
dti-1366	99	3	,	,	PUNCT
dti-1366	99	4	the	the	DET
dti-1366	99	5	2p41	2p41	NUM
dti-1366	99	6	pdb	pdb	NOUN
dti-1366	99	7	structure	structure	NOUN
dti-1366	99	8	has	have	VERB
dti-1366	99	9	sah	sah	PROPN
dti-1366	99	10	ligand	ligand	NOUN
dti-1366	99	11	as	as	ADV
dti-1366	99	12	well	well	ADV
dti-1366	99	13	,	,	PUNCT
dti-1366	99	14	which	which	PRON
dti-1366	99	15	can	can	AUX
dti-1366	99	16	be	be	AUX
dti-1366	99	17	used	use	VERB
dti-1366	99	18	later	later	ADV
dti-1366	99	19	for	for	ADP
dti-1366	99	20	molecular	molecular	ADJ
dti-1366	99	21	docking	docking	NOUN
dti-1366	99	22	simulation	simulation	NOUN
dti-1366	99	23	purposes	purpose	NOUN
dti-1366	99	24	.	.	PUNCT
dti-1366	100	1	the	the	DET
dti-1366	100	2	structure	structure	NOUN
dti-1366	100	3	optimization	optimization	NOUN
dti-1366	100	4	of	of	ADP
dti-1366	100	5	the	the	DET
dti-1366	100	6	ns5	ns5	NOUN
dti-1366	100	7	methyltransferase	methyltransferase	NOUN
dti-1366	100	8	enzyme	enzyme	NOUN
dti-1366	100	9	similar	similar	ADJ
dti-1366	100	10	to	to	ADP
dti-1366	100	11	the	the	DET
dti-1366	100	12	ligand	ligand	ADJ
dti-1366	100	13	optimization	optimization	NOUN
dti-1366	100	14	process	process	NOUN
dti-1366	100	15	,	,	PUNCT
dti-1366	100	16	the	the	DET
dti-1366	100	17	optimization	optimization	NOUN
dti-1366	100	18	of	of	ADP
dti-1366	100	19	the	the	DET
dti-1366	100	20	ns5	ns5	NOUN
dti-1366	100	21	methyltransferase	methyltransferase	NOUN
dti-1366	100	22	enzyme	enzyme	NOUN
dti-1366	100	23	was	be	AUX
dti-1366	100	24	done	do	VERB
dti-1366	100	25	using	use	VERB
dti-1366	100	26	moe	moe	NOUN
dti-1366	100	27	2008.10	2008.10	NUM
dti-1366	100	28	software	software	NOUN
dti-1366	100	29	.	.	PUNCT
dti-1366	101	1	in	in	ADP
dti-1366	101	2	this	this	DET
dti-1366	101	3	particular	particular	ADJ
dti-1366	101	4	step	step	NOUN
dti-1366	101	5	,	,	PUNCT
dti-1366	101	6	we	we	PRON
dti-1366	101	7	first	first	ADV
dti-1366	101	8	removed	remove	VERB
dti-1366	101	9	any	any	DET
dti-1366	101	10	water	water	NOUN
dti-1366	101	11	molecules	molecule	NOUN
dti-1366	101	12	and	and	CCONJ
dti-1366	101	13	sulfate	sulfate	NOUN
dti-1366	101	14	ions	ion	NOUN
dti-1366	101	15	(	(	PUNCT
dti-1366	101	16	)	)	PUNCT
dti-1366	101	17	so4	so4	PROPN
dti-1366	101	18	2−	2−	NUM
dti-1366	101	19	that	that	PRON
dti-1366	101	20	lie	lie	VERB
dti-1366	101	21	in	in	ADP
dti-1366	101	22	the	the	DET
dti-1366	101	23	pdb	pdb	NOUN
dti-1366	101	24	structure	structure	NOUN
dti-1366	101	25	.	.	PUNCT
dti-1366	102	1	then	then	ADV
dti-1366	102	2	,	,	PUNCT
dti-1366	102	3	we	we	PRON
dti-1366	102	4	selected	select	VERB
dti-1366	102	5	the	the	DET
dti-1366	102	6	active	active	ADJ
dti-1366	102	7	site	site	NOUN
dti-1366	102	8	residues	residue	NOUN
dti-1366	102	9	of	of	ADP
dti-1366	102	10	the	the	DET
dti-1366	102	11	enzyme	enzyme	NOUN
dti-1366	102	12	.	.	PUNCT
dti-1366	103	1	figure	figure	NOUN
dti-1366	103	2	1	1	NUM
dti-1366	103	3	.	.	PUNCT
dti-1366	104	1	the	the	DET
dti-1366	104	2	3	3	NUM
dti-1366	104	3	-	-	PUNCT
dti-1366	104	4	dimensional	dimensional	ADJ
dti-1366	104	5	structure	structure	NOUN
dti-1366	104	6	of	of	ADP
dti-1366	104	7	ns5	ns5	NOUN
dti-1366	104	8	methyltransferase	methyltransferase	NOUN
dti-1366	104	9	enzyme	enzyme	NOUN
dti-1366	104	10	(	(	PUNCT
dti-1366	104	11	protein	protein	NOUN
dti-1366	104	12	data	datum	NOUN
dti-1366	104	13	bank	bank	PROPN
dti-1366	104	14	i	i	PROPN
dti-1366	104	15	d	d	PROPN
dti-1366	104	16	:	:	PUNCT
dti-1366	104	17	2p41	2p41	NUM
dti-1366	104	18	)	)	PUNCT
dti-1366	104	19	and	and	CCONJ
dti-1366	104	20	the	the	DET
dti-1366	104	21	s	s	NOUN
dti-1366	104	22	-	-	NOUN
dti-1366	104	23	adenosylmethionine	adenosylmethionine	NOUN
dti-1366	104	24	/	/	SYM
dti-1366	104	25	s	s	NOUN
dti-1366	104	26	-	-	PUNCT
dti-1366	104	27	adenosyl	adenosyl	ADJ
dti-1366	104	28	-	-	PUNCT
dti-1366	104	29	lhomocysteine	lhomocysteine	NOUN
dti-1366	104	30	-	-	PUNCT
dti-1366	104	31	binding	bind	VERB
dti-1366	104	32	site	site	NOUN
dti-1366	104	33	.	.	PUNCT
dti-1366	105	1	figure	figure	NOUN
dti-1366	105	2	2	2	NUM
dti-1366	105	3	.	.	PUNCT
dti-1366	106	1	the	the	DET
dti-1366	106	2	place	place	NOUN
dti-1366	106	3	of	of	ADP
dti-1366	106	4	functional	functional	ADJ
dti-1366	106	5	group	group	NOUN
dti-1366	106	6	modification	modification	NOUN
dti-1366	106	7	of	of	ADP
dti-1366	106	8	s	s	NOUN
dti-1366	106	9	-	-	PUNCT
dti-1366	106	10	adenosyl	adenosyl	NOUN
dti-1366	106	11	-	-	PUNCT
dti-1366	106	12	lhomocysteine	lhomocysteine	NOUN
dti-1366	106	13	;	;	PUNCT
dti-1366	106	14	the	the	DET
dti-1366	106	15	modification	modification	NOUN
dti-1366	106	16	was	be	AUX
dti-1366	106	17	conducted	conduct	VERB
dti-1366	106	18	by	by	ADP
dti-1366	106	19	changing	change	VERB
dti-1366	106	20	the	the	DET
dti-1366	106	21	respective	respective	ADJ
dti-1366	106	22	functional	functional	ADJ
dti-1366	106	23	group	group	NOUN
dti-1366	106	24	into	into	ADP
dti-1366	106	25	another	another	PRON
dti-1366	106	26	,	,	PUNCT
dti-1366	106	27	such	such	ADJ
dti-1366	106	28	as	as	ADP
dti-1366	106	29	alcohol	alcohol	NOUN
dti-1366	106	30	,	,	PUNCT
dti-1366	106	31	carboxylic	carboxylic	ADJ
dti-1366	106	32	acid	acid	NOUN
dti-1366	106	33	,	,	PUNCT
dti-1366	106	34	and	and	CCONJ
dti-1366	106	35	amine	amine	NOUN
dti-1366	106	36	,	,	PUNCT
dti-1366	106	37	resulting	result	VERB
dti-1366	106	38	in	in	ADP
dti-1366	106	39	3460	3460	NUM
dti-1366	106	40	ligands	ligand	NOUN
dti-1366	106	41	in	in	ADP
dti-1366	106	42	the	the	DET
dti-1366	106	43	process	process	NOUN
dti-1366	106	44	.	.	PUNCT
dti-1366	107	1	http://www.ebi.ac.uk	http://www.ebi.ac.uk	PROPN
dti-1366	107	2	tambunan	tambunan	VERB
dti-1366	107	3	et	et	NOUN
dti-1366	108	1	al	al	PROPN
dti-1366	108	2	5	5	PROPN
dti-1366	108	3	next	next	ADV
dti-1366	108	4	is	be	AUX
dti-1366	108	5	the	the	DET
dti-1366	108	6	“	"	PUNCT
dti-1366	108	7	3d	3d	NOUN
dti-1366	108	8	protonate	protonate	NOUN
dti-1366	108	9	step	step	NOUN
dti-1366	108	10	,	,	PUNCT
dti-1366	108	11	”	"	PUNCT
dti-1366	108	12	as	as	ADV
dti-1366	108	13	well	well	ADV
dti-1366	108	14	as	as	ADP
dti-1366	108	15	“	"	PUNCT
dti-1366	108	16	partial	partial	ADJ
dti-1366	108	17	charge	charge	NOUN
dti-1366	108	18	”	"	PUNCT
dti-1366	108	19	and	and	CCONJ
dti-1366	108	20	“	"	PUNCT
dti-1366	108	21	energy	energy	NOUN
dti-1366	108	22	minimization	minimization	NOUN
dti-1366	108	23	”	"	PUNCT
dti-1366	108	24	steps	step	NOUN
dti-1366	108	25	.	.	PUNCT
dti-1366	109	1	the	the	DET
dti-1366	109	2	3d	3d	PROPN
dti-1366	109	3	protonate	protonate	NOUN
dti-1366	109	4	step	step	NOUN
dti-1366	109	5	aims	aim	VERB
dti-1366	109	6	to	to	PART
dti-1366	109	7	add	add	VERB
dti-1366	109	8	the	the	DET
dti-1366	109	9	hydrogen	hydrogen	NOUN
dti-1366	109	10	atoms	atom	NOUN
dti-1366	109	11	that	that	PRON
dti-1366	109	12	are	be	AUX
dti-1366	109	13	likely	likely	ADV
dti-1366	109	14	missing	miss	VERB
dti-1366	109	15	in	in	ADP
dti-1366	109	16	the	the	DET
dti-1366	109	17	pdb	pdb	NOUN
dti-1366	109	18	structure	structure	NOUN
dti-1366	109	19	.	.	PUNCT
dti-1366	110	1	then	then	ADV
dti-1366	110	2	,	,	PUNCT
dti-1366	110	3	the	the	DET
dti-1366	110	4	partial	partial	ADJ
dti-1366	110	5	charge	charge	NOUN
dti-1366	110	6	step	step	NOUN
dti-1366	110	7	was	be	AUX
dti-1366	110	8	followed	follow	VERB
dti-1366	110	9	by	by	ADP
dti-1366	110	10	an	an	DET
dti-1366	110	11	mmff94x	mmff94x	PROPN
dti-1366	110	12	method	method	NOUN
dti-1366	110	13	.	.	PUNCT
dti-1366	111	1	finally	finally	ADV
dti-1366	111	2	,	,	PUNCT
dti-1366	111	3	the	the	DET
dti-1366	111	4	energy	energy	NOUN
dti-1366	111	5	minimization	minimization	NOUN
dti-1366	111	6	step	step	NOUN
dti-1366	111	7	was	be	AUX
dti-1366	111	8	conducted	conduct	VERB
dti-1366	111	9	in	in	ADP
dti-1366	111	10	the	the	DET
dti-1366	111	11	gas	gas	NOUN
dti-1366	111	12	phase	phase	NOUN
dti-1366	111	13	solvation	solvation	NOUN
dti-1366	111	14	model	model	NOUN
dti-1366	111	15	.	.	PUNCT
dti-1366	112	1	furthermore	furthermore	ADV
dti-1366	112	2	,	,	PUNCT
dti-1366	112	3	the	the	DET
dti-1366	112	4	minimization	minimization	NOUN
dti-1366	112	5	force	force	NOUN
dti-1366	112	6	field	field	NOUN
dti-1366	112	7	was	be	AUX
dti-1366	112	8	set	set	VERB
dti-1366	112	9	into	into	ADP
dti-1366	112	10	mmff94x	mmff94x	PROPN
dti-1366	112	11	;	;	PUNCT
dti-1366	112	12	this	this	DET
dti-1366	112	13	force	force	NOUN
dti-1366	112	14	field	field	NOUN
dti-1366	112	15	is	be	AUX
dti-1366	112	16	widely	widely	ADV
dti-1366	112	17	used	use	VERB
dti-1366	112	18	in	in	ADP
dti-1366	112	19	the	the	DET
dti-1366	112	20	field	field	NOUN
dti-1366	112	21	of	of	ADP
dti-1366	112	22	computational	computational	ADJ
dti-1366	112	23	biology	biology	NOUN
dti-1366	112	24	for	for	ADP
dti-1366	112	25	peptides	peptide	NOUN
dti-1366	112	26	,	,	PUNCT
dti-1366	112	27	proteins	protein	NOUN
dti-1366	112	28	,	,	PUNCT
dti-1366	112	29	dna	dna	NOUN
dti-1366	112	30	,	,	PUNCT
dti-1366	112	31	and	and	CCONJ
dti-1366	112	32	drug	drug	NOUN
dti-1366	112	33	-	-	PUNCT
dti-1366	112	34	like	like	ADJ
dti-1366	112	35	molecules.53	molecules.53	NOUN
dti-1366	112	36	also	also	ADV
dti-1366	112	37	,	,	PUNCT
dti-1366	112	38	the	the	DET
dti-1366	112	39	rms	rm	NOUN
dti-1366	112	40	gradient	gradient	NOUN
dti-1366	112	41	was	be	AUX
dti-1366	112	42	set	set	VERB
dti-1366	112	43	to	to	ADP
dti-1366	112	44	0.05	0.05	NUM
dti-1366	112	45	kcal	kcal	NOUN
dti-1366	112	46	/	/	SYM
dti-1366	112	47	å	å	NOUN
dti-1366	112	48	,	,	PUNCT
dti-1366	112	49	which	which	PRON
dti-1366	112	50	is	be	AUX
dti-1366	112	51	suitable	suitable	ADJ
dti-1366	112	52	for	for	ADP
dti-1366	112	53	protein	protein	NOUN
dti-1366	112	54	.	.	PUNCT
dti-1366	113	1	molecular	molecular	ADJ
dti-1366	113	2	docking	docking	NOUN
dti-1366	113	3	simulation	simulation	NOUN
dti-1366	113	4	of	of	ADP
dti-1366	113	5	ns5	ns5	NOUN
dti-1366	113	6	methyltransferase	methyltransferase	NOUN
dti-1366	113	7	enzyme	enzyme	NOUN
dti-1366	113	8	and	and	CCONJ
dti-1366	113	9	sah	sah	NOUN
dti-1366	113	10	-	-	PUNCT
dti-1366	113	11	based	base	VERB
dti-1366	113	12	ligands	ligand	NOUN
dti-1366	113	13	molecular	molecular	ADJ
dti-1366	113	14	docking	docking	NOUN
dti-1366	113	15	simulation	simulation	NOUN
dti-1366	113	16	is	be	AUX
dti-1366	113	17	a	a	DET
dti-1366	113	18	computational	computational	ADJ
dti-1366	113	19	method	method	NOUN
dti-1366	113	20	that	that	PRON
dti-1366	113	21	is	be	AUX
dti-1366	113	22	used	use	VERB
dti-1366	113	23	to	to	PART
dti-1366	113	24	describe	describe	VERB
dti-1366	113	25	the	the	DET
dti-1366	113	26	molecular	molecular	ADJ
dti-1366	113	27	interaction	interaction	NOUN
dti-1366	113	28	between	between	ADP
dti-1366	113	29	a	a	DET
dti-1366	113	30	molecule	molecule	NOUN
dti-1366	113	31	(	(	PUNCT
dti-1366	113	32	ligand	ligand	NOUN
dti-1366	113	33	)	)	PUNCT
dti-1366	113	34	and	and	CCONJ
dti-1366	113	35	its	its	PRON
dti-1366	113	36	receptor	receptor	NOUN
dti-1366	113	37	,	,	PUNCT
dti-1366	113	38	either	either	CCONJ
dti-1366	113	39	a	a	DET
dti-1366	113	40	protein	protein	NOUN
dti-1366	113	41	or	or	CCONJ
dti-1366	113	42	an	an	DET
dti-1366	113	43	enzyme	enzyme	NOUN
dti-1366	113	44	.	.	PUNCT
dti-1366	114	1	the	the	DET
dti-1366	114	2	purpose	purpose	NOUN
dti-1366	114	3	of	of	ADP
dti-1366	114	4	this	this	DET
dti-1366	114	5	simulation	simulation	NOUN
dti-1366	114	6	is	be	AUX
dti-1366	114	7	to	to	PART
dti-1366	114	8	predict	predict	VERB
dti-1366	114	9	the	the	DET
dti-1366	114	10	ligand	ligand	ADJ
dti-1366	114	11	activity	activity	NOUN
dti-1366	114	12	toward	toward	ADP
dti-1366	114	13	its	its	PRON
dti-1366	114	14	receptor	receptor	NOUN
dti-1366	114	15	and	and	CCONJ
dti-1366	114	16	to	to	PART
dti-1366	114	17	filter	filter	VERB
dti-1366	114	18	any	any	DET
dti-1366	114	19	compounds	compound	NOUN
dti-1366	114	20	that	that	PRON
dti-1366	114	21	can	can	AUX
dti-1366	114	22	be	be	AUX
dti-1366	114	23	used	use	VERB
dti-1366	114	24	to	to	PART
dti-1366	114	25	interact	interact	VERB
dti-1366	114	26	with	with	ADP
dti-1366	114	27	the	the	DET
dti-1366	114	28	receptor	receptor	NOUN
dti-1366	114	29	to	to	PART
dti-1366	114	30	become	become	VERB
dti-1366	114	31	the	the	DET
dti-1366	114	32	potential	potential	ADJ
dti-1366	114	33	inhibitors	inhibitor	NOUN
dti-1366	114	34	of	of	ADP
dti-1366	114	35	the	the	DET
dti-1366	114	36	protein	protein	NOUN
dti-1366	114	37	/	/	SYM
dti-1366	114	38	enzyme.22,54	enzyme.22,54	NOUN
dti-1366	114	39	in	in	ADP
dti-1366	114	40	this	this	DET
dti-1366	114	41	study	study	NOUN
dti-1366	114	42	,	,	PUNCT
dti-1366	114	43	the	the	DET
dti-1366	114	44	molecular	molecular	ADJ
dti-1366	114	45	docking	docking	NOUN
dti-1366	114	46	simulation	simulation	NOUN
dti-1366	114	47	was	be	AUX
dti-1366	114	48	performed	perform	VERB
dti-1366	114	49	using	use	VERB
dti-1366	114	50	moe	moe	NOUN
dti-1366	114	51	2008.10	2008.10	NUM
dti-1366	114	52	software	software	NOUN
dti-1366	114	53	.	.	PUNCT
dti-1366	115	1	the	the	DET
dti-1366	115	2	docking	docking	NOUN
dti-1366	115	3	parameter	parameter	NOUN
dti-1366	115	4	involves	involve	VERB
dti-1366	115	5	placement	placement	NOUN
dti-1366	115	6	,	,	PUNCT
dti-1366	115	7	rescoring	rescore	VERB
dti-1366	115	8	,	,	PUNCT
dti-1366	115	9	retain	retain	VERB
dti-1366	115	10	,	,	PUNCT
dti-1366	115	11	and	and	CCONJ
dti-1366	115	12	refinement	refinement	NOUN
dti-1366	115	13	.	.	PUNCT
dti-1366	116	1	we	we	PRON
dti-1366	116	2	used	use	VERB
dti-1366	116	3	triangle	triangle	NOUN
dti-1366	116	4	matcher	matcher	NOUN
dti-1366	116	5	as	as	ADP
dti-1366	116	6	the	the	DET
dti-1366	116	7	placement	placement	NOUN
dti-1366	116	8	parameter	parameter	NOUN
dti-1366	116	9	;	;	PUNCT
dti-1366	116	10	this	this	DET
dti-1366	116	11	parameter	parameter	NOUN
dti-1366	116	12	serves	serve	VERB
dti-1366	116	13	to	to	PART
dti-1366	116	14	show	show	VERB
dti-1366	116	15	a	a	DET
dti-1366	116	16	random	random	ADJ
dti-1366	116	17	movement	movement	NOUN
dti-1366	116	18	of	of	ADP
dti-1366	116	19	the	the	DET
dti-1366	116	20	ligand	ligand	NOUN
dti-1366	116	21	,	,	PUNCT
dti-1366	116	22	based	base	VERB
dti-1366	116	23	on	on	ADP
dti-1366	116	24	charge	charge	NOUN
dti-1366	116	25	and	and	CCONJ
dti-1366	116	26	spatial	spatial	ADJ
dti-1366	116	27	fit	fit	NOUN
dti-1366	116	28	,	,	PUNCT
dti-1366	116	29	in	in	ADP
dti-1366	116	30	the	the	DET
dti-1366	116	31	active	active	ADJ
dti-1366	116	32	site	site	NOUN
dti-1366	116	33	of	of	ADP
dti-1366	116	34	the	the	DET
dti-1366	116	35	enzyme	enzyme	NOUN
dti-1366	116	36	to	to	PART
dti-1366	116	37	produce	produce	VERB
dti-1366	116	38	the	the	DET
dti-1366	116	39	optimal	optimal	ADJ
dti-1366	116	40	bond	bond	NOUN
dti-1366	116	41	orientation.55	orientation.55	NOUN
dti-1366	116	42	also	also	ADV
dti-1366	116	43	,	,	PUNCT
dti-1366	116	44	this	this	DET
dti-1366	116	45	parameter	parameter	NOUN
dti-1366	116	46	is	be	AUX
dti-1366	116	47	better	well	ADJ
dti-1366	116	48	than	than	ADP
dti-1366	116	49	the	the	DET
dti-1366	116	50	“	"	PUNCT
dti-1366	116	51	alpha	alpha	NOUN
dti-1366	116	52	matcher	matcher	NOUN
dti-1366	116	53	”	"	PUNCT
dti-1366	116	54	because	because	SCONJ
dti-1366	116	55	it	it	PRON
dti-1366	116	56	can	can	AUX
dti-1366	116	57	produce	produce	VERB
dti-1366	116	58	the	the	DET
dti-1366	116	59	pose	pose	NOUN
dti-1366	116	60	/	/	SYM
dti-1366	116	61	conformation	conformation	NOUN
dti-1366	116	62	which	which	PRON
dti-1366	116	63	is	be	AUX
dti-1366	116	64	more	more	ADV
dti-1366	116	65	accurate	accurate	ADJ
dti-1366	116	66	and	and	CCONJ
dti-1366	116	67	systematic.56	systematic.56	NOUN
dti-1366	116	68	furthermore	furthermore	ADV
dti-1366	116	69	,	,	PUNCT
dti-1366	116	70	london	london	PROPN
dti-1366	116	71	dg	dg	PROPN
dti-1366	116	72	was	be	AUX
dti-1366	116	73	used	use	VERB
dti-1366	116	74	as	as	ADP
dti-1366	116	75	the	the	DET
dti-1366	116	76	rescoring	rescoring	NOUN
dti-1366	116	77	parameter	parameter	NOUN
dti-1366	116	78	.	.	PUNCT
dti-1366	117	1	it	it	PRON
dti-1366	117	2	is	be	AUX
dti-1366	117	3	used	use	VERB
dti-1366	117	4	to	to	PART
dti-1366	117	5	measure	measure	VERB
dti-1366	117	6	the	the	DET
dti-1366	117	7	biological	biological	ADJ
dti-1366	117	8	activity	activity	NOUN
dti-1366	117	9	of	of	ADP
dti-1366	117	10	the	the	DET
dti-1366	117	11	ligand	ligand	NOUN
dti-1366	117	12	and	and	CCONJ
dti-1366	117	13	the	the	DET
dti-1366	117	14	target	target	NOUN
dti-1366	117	15	protein	protein	NOUN
dti-1366	117	16	by	by	ADP
dti-1366	117	17	calculating	calculate	VERB
dti-1366	117	18	the	the	DET
dti-1366	117	19	binding	bind	VERB
dti-1366	117	20	energies	energy	NOUN
dti-1366	117	21	based	base	VERB
dti-1366	117	22	on	on	ADP
dti-1366	117	23	their	their	PRON
dti-1366	117	24	molecular	molecular	ADJ
dti-1366	117	25	interaction	interaction	NOUN
dti-1366	117	26	from	from	ADP
dti-1366	117	27	each	each	DET
dti-1366	117	28	pose	pose	NOUN
dti-1366	117	29	/	/	SYM
dti-1366	117	30	conformation	conformation	NOUN
dti-1366	117	31	that	that	PRON
dti-1366	117	32	is	be	AUX
dti-1366	117	33	generated	generate	VERB
dti-1366	117	34	in	in	ADP
dti-1366	117	35	the	the	DET
dti-1366	117	36	software.57	software.57	PROPN
dti-1366	117	37	the	the	DET
dti-1366	117	38	determination	determination	NOUN
dti-1366	117	39	of	of	ADP
dti-1366	117	40	the	the	DET
dti-1366	117	41	complex	complex	ADJ
dti-1366	117	42	structure	structure	NOUN
dti-1366	117	43	was	be	AUX
dti-1366	117	44	done	do	VERB
dti-1366	117	45	by	by	ADP
dti-1366	117	46	selecting	select	VERB
dti-1366	117	47	the	the	DET
dti-1366	117	48	smallest	small	ADJ
dti-1366	117	49	gibbs	gibbs	PROPN
dti-1366	117	50	free	free	ADJ
dti-1366	117	51	binding	bind	VERB
dti-1366	117	52	energy	energy	NOUN
dti-1366	117	53	(	(	PUNCT
dti-1366	117	54	δgbinding	δgbinde	VERB
dti-1366	117	55	)	)	PUNCT
dti-1366	117	56	from	from	ADP
dti-1366	117	57	the	the	DET
dti-1366	117	58	docking	docking	NOUN
dti-1366	117	59	simulation	simulation	NOUN
dti-1366	117	60	result	result	VERB
dti-1366	117	61	.	.	PUNCT
dti-1366	118	1	the	the	DET
dti-1366	118	2	most	most	ADV
dti-1366	118	3	negative	negative	ADJ
dti-1366	118	4	δgbinding	δgbinding	ADJ
dti-1366	118	5	result	result	NOUN
dti-1366	118	6	indicates	indicate	VERB
dti-1366	118	7	that	that	SCONJ
dti-1366	118	8	the	the	DET
dti-1366	118	9	ligand	ligand	ADJ
dti-1366	118	10	conformation	conformation	NOUN
dti-1366	118	11	is	be	AUX
dti-1366	118	12	the	the	DET
dti-1366	118	13	most	most	ADV
dti-1366	118	14	stable	stable	ADJ
dti-1366	118	15	,	,	PUNCT
dti-1366	118	16	yet	yet	CCONJ
dti-1366	118	17	favorable	favorable	ADJ
dti-1366	118	18	complex	complex	ADJ
dti-1366	118	19	conformation	conformation	NOUN
dti-1366	118	20	above	above	ADP
dti-1366	118	21	all	all	PRON
dti-1366	118	22	.	.	PUNCT
dti-1366	119	1	from	from	ADP
dti-1366	119	2	3460	3460	NUM
dti-1366	119	3	ligands	ligand	NOUN
dti-1366	119	4	that	that	PRON
dti-1366	119	5	we	we	PRON
dti-1366	119	6	tested	test	VERB
dti-1366	119	7	in	in	ADP
dti-1366	119	8	this	this	DET
dti-1366	119	9	simulation	simulation	NOUN
dti-1366	119	10	,	,	PUNCT
dti-1366	119	11	we	we	PRON
dti-1366	119	12	selected	select	VERB
dti-1366	119	13	98	98	NUM
dti-1366	119	14	ligands	ligand	NOUN
dti-1366	119	15	that	that	PRON
dti-1366	119	16	have	have	VERB
dti-1366	119	17	the	the	DET
dti-1366	119	18	lowest	low	ADJ
dti-1366	119	19	δgbinding	δgbinding	NOUN
dti-1366	119	20	from	from	ADP
dti-1366	119	21	the	the	DET
dti-1366	119	22	standards	standard	NOUN
dti-1366	119	23	.	.	PUNCT
dti-1366	120	1	afterward	afterward	ADV
dti-1366	120	2	,	,	PUNCT
dti-1366	120	3	we	we	PRON
dti-1366	120	4	ran	run	VERB
dti-1366	120	5	another	another	DET
dti-1366	120	6	docking	docking	NOUN
dti-1366	120	7	process	process	NOUN
dti-1366	120	8	to	to	PART
dti-1366	120	9	validate	validate	VERB
dti-1366	120	10	the	the	DET
dti-1366	120	11	docking	docking	NOUN
dti-1366	120	12	results	result	NOUN
dti-1366	120	13	that	that	SCONJ
dti-1366	120	14	we	we	PRON
dti-1366	120	15	obtained	obtain	VERB
dti-1366	120	16	previously	previously	ADV
dti-1366	120	17	.	.	PUNCT
dti-1366	121	1	this	this	PRON
dti-1366	121	2	led	lead	VERB
dti-1366	121	3	to	to	ADP
dti-1366	121	4	3	3	NUM
dti-1366	121	5	ligands	ligand	NOUN
dti-1366	121	6	that	that	PRON
dti-1366	121	7	have	have	VERB
dti-1366	121	8	the	the	DET
dti-1366	121	9	lowest	low	ADJ
dti-1366	121	10	δgbinding	δgbinding	NOUN
dti-1366	121	11	among	among	ADP
dti-1366	121	12	others	other	NOUN
dti-1366	121	13	.	.	PUNCT
dti-1366	122	1	table	table	NOUN
dti-1366	122	2	1	1	NUM
dti-1366	122	3	shows	show	VERB
dti-1366	122	4	the	the	DET
dti-1366	122	5	δgbinding	δgbinde	VERB
dti-1366	122	6	and	and	CCONJ
dti-1366	122	7	inhibition	inhibition	VERB
dti-1366	122	8	constant	constant	ADJ
dti-1366	122	9	(	(	PUNCT
dti-1366	122	10	pki	pki	NOUN
dti-1366	122	11	)	)	PUNCT
dti-1366	122	12	of	of	ADP
dti-1366	122	13	the	the	DET
dti-1366	122	14	3	3	NUM
dti-1366	122	15	best	good	ADJ
dti-1366	122	16	ligands	ligand	NOUN
dti-1366	122	17	,	,	PUNCT
dti-1366	122	18	as	as	ADV
dti-1366	122	19	well	well	ADV
dti-1366	122	20	as	as	ADP
dti-1366	122	21	3	3	NUM
dti-1366	122	22	standard	standard	ADJ
dti-1366	122	23	ligands	ligand	NOUN
dti-1366	122	24	that	that	SCONJ
dti-1366	122	25	we	we	PRON
dti-1366	122	26	tested	test	VERB
dti-1366	122	27	in	in	ADP
dti-1366	122	28	this	this	DET
dti-1366	122	29	study	study	NOUN
dti-1366	122	30	(	(	PUNCT
dti-1366	122	31	figure	figure	NOUN
dti-1366	122	32	3	3	NUM
dti-1366	122	33	)	)	PUNCT
dti-1366	122	34	.	.	PUNCT
dti-1366	123	1	besides	besides	SCONJ
dti-1366	123	2	gibbs	gibbs	PROPN
dti-1366	123	3	free	free	ADJ
dti-1366	123	4	binding	bind	VERB
dti-1366	123	5	energy	energy	NOUN
dti-1366	123	6	and	and	CCONJ
dti-1366	123	7	the	the	DET
dti-1366	123	8	inhibition	inhibition	NOUN
dti-1366	123	9	constants	constant	NOUN
dti-1366	123	10	,	,	PUNCT
dti-1366	123	11	the	the	DET
dti-1366	123	12	molecular	molecular	ADJ
dti-1366	123	13	interaction	interaction	NOUN
dti-1366	123	14	of	of	ADP
dti-1366	123	15	the	the	DET
dti-1366	123	16	enzyme	enzyme	NOUN
dti-1366	123	17	and	and	CCONJ
dti-1366	123	18	the	the	DET
dti-1366	123	19	ligand	ligand	NOUN
dti-1366	123	20	can	can	AUX
dti-1366	123	21	also	also	ADV
dti-1366	123	22	be	be	AUX
dti-1366	123	23	observed	observe	VERB
dti-1366	123	24	.	.	PUNCT
dti-1366	124	1	this	this	DET
dti-1366	124	2	molecular	molecular	ADJ
dti-1366	124	3	interaction	interaction	NOUN
dti-1366	124	4	includes	include	VERB
dti-1366	124	5	hydrogen	hydrogen	NOUN
dti-1366	124	6	bonds	bond	NOUN
dti-1366	124	7	,	,	PUNCT
dti-1366	124	8	which	which	PRON
dti-1366	124	9	are	be	AUX
dti-1366	124	10	defined	define	VERB
dti-1366	124	11	as	as	ADP
dti-1366	124	12	the	the	DET
dti-1366	124	13	intermolecular	intermolecular	ADJ
dti-1366	124	14	force	force	NOUN
dti-1366	124	15	that	that	PRON
dti-1366	124	16	occurs	occur	VERB
dti-1366	124	17	between	between	ADP
dti-1366	124	18	an	an	DET
dti-1366	124	19	electronegative	electronegative	ADJ
dti-1366	124	20	atom	atom	NOUN
dti-1366	124	21	and	and	CCONJ
dti-1366	124	22	hydrogen	hydrogen	NOUN
dti-1366	124	23	atom	atom	NOUN
dti-1366	124	24	that	that	PRON
dti-1366	124	25	covalently	covalently	ADV
dti-1366	124	26	binds	bind	VERB
dti-1366	124	27	to	to	ADP
dti-1366	124	28	high	high	ADJ
dti-1366	124	29	electronegativity	electronegativity	NOUN
dti-1366	124	30	atom.58	atom.58	NOUN
dti-1366	124	31	based	base	VERB
dti-1366	124	32	on	on	ADP
dti-1366	124	33	the	the	DET
dti-1366	124	34	docking	docking	NOUN
dti-1366	124	35	results	result	NOUN
dti-1366	124	36	between	between	ADP
dti-1366	124	37	the	the	DET
dti-1366	124	38	modified	modify	VERB
dti-1366	124	39	sah	sah	NOUN
dti-1366	124	40	ligands	ligand	NOUN
dti-1366	124	41	with	with	ADP
dti-1366	124	42	the	the	DET
dti-1366	124	43	active	active	ADJ
dti-1366	124	44	site	site	NOUN
dti-1366	124	45	of	of	ADP
dti-1366	124	46	ns5	ns5	NOUN
dti-1366	124	47	methyltransferase	methyltransferase	NOUN
dti-1366	124	48	enzyme	enzyme	NOUN
dti-1366	124	49	,	,	PUNCT
dti-1366	124	50	the	the	DET
dti-1366	124	51	molecular	molecular	ADJ
dti-1366	124	52	interaction	interaction	NOUN
dti-1366	124	53	is	be	AUX
dti-1366	124	54	as	as	SCONJ
dti-1366	124	55	shown	show	VERB
dti-1366	124	56	in	in	ADP
dti-1366	124	57	table	table	NOUN
dti-1366	124	58	2	2	NUM
dti-1366	124	59	.	.	PUNCT
dti-1366	125	1	in	in	ADP
dti-1366	125	2	table	table	NOUN
dti-1366	125	3	2	2	NUM
dti-1366	125	4	,	,	PUNCT
dti-1366	125	5	the	the	DET
dti-1366	125	6	red	red	ADJ
dti-1366	125	7	-	-	PUNCT
dti-1366	125	8	colored	color	VERB
dti-1366	125	9	letters	letter	NOUN
dti-1366	125	10	show	show	VERB
dti-1366	125	11	the	the	DET
dti-1366	125	12	sam	sam	PROPN
dti-1366	125	13	-	-	PUNCT
dti-1366	125	14	binding	bind	VERB
dti-1366	125	15	site	site	NOUN
dti-1366	125	16	residues	residue	NOUN
dti-1366	125	17	.	.	PUNCT
dti-1366	126	1	it	it	PRON
dti-1366	126	2	can	can	AUX
dti-1366	126	3	be	be	AUX
dti-1366	126	4	seen	see	VERB
dti-1366	126	5	that	that	PRON
dti-1366	126	6	ligand	ligand	NOUN
dti-1366	126	7	sah	sah	PROPN
dti-1366	126	8	-	-	PUNCT
dti-1366	126	9	m331	m331	PROPN
dti-1366	126	10	has	have	AUX
dti-1366	126	11	formed	form	VERB
dti-1366	126	12	4	4	NUM
dti-1366	126	13	hydrogen	hydrogen	NOUN
dti-1366	126	14	bonding	bonding	NOUN
dti-1366	126	15	interactions	interaction	NOUN
dti-1366	126	16	with	with	ADP
dti-1366	126	17	the	the	DET
dti-1366	126	18	active	active	ADJ
dti-1366	126	19	site	site	NOUN
dti-1366	126	20	of	of	ADP
dti-1366	126	21	ns5	ns5	NOUN
dti-1366	126	22	methyltransferase	methyltransferase	NOUN
dti-1366	126	23	enzyme	enzyme	NOUN
dti-1366	126	24	,	,	PUNCT
dti-1366	126	25	of	of	ADP
dti-1366	126	26	which	which	PRON
dti-1366	126	27	1	1	NUM
dti-1366	126	28	interaction	interaction	NOUN
dti-1366	126	29	occurs	occur	VERB
dti-1366	126	30	in	in	ADP
dti-1366	126	31	the	the	DET
dti-1366	126	32	pi	pi	ADJ
dti-1366	126	33	-	-	PUNCT
dti-1366	126	34	pi	pi	NOUN
dti-1366	126	35	cation	cation	NOUN
dti-1366	126	36	interactions	interaction	NOUN
dti-1366	126	37	with	with	ADP
dti-1366	126	38	trp87	trp87	PROPN
dti-1366	126	39	.	.	PUNCT
dti-1366	127	1	moreover	moreover	ADV
dti-1366	127	2	,	,	PUNCT
dti-1366	127	3	6	6	NUM
dti-1366	127	4	hydrogen	hydrogen	NOUN
dti-1366	127	5	bonds	bond	NOUN
dti-1366	127	6	,	,	PUNCT
dti-1366	127	7	with	with	ADP
dti-1366	127	8	4	4	NUM
dti-1366	127	9	of	of	ADP
dti-1366	127	10	them	they	PRON
dti-1366	127	11	occurring	occur	VERB
dti-1366	127	12	in	in	ADP
dti-1366	127	13	the	the	DET
dti-1366	127	14	active	active	ADJ
dti-1366	127	15	site	site	NOUN
dti-1366	127	16	of	of	ADP
dti-1366	127	17	ns5	ns5	NOUN
dti-1366	127	18	methyltransferase	methyltransferase	NOUN
dti-1366	127	19	enzyme	enzyme	NOUN
dti-1366	127	20	,	,	PUNCT
dti-1366	127	21	occur	occur	VERB
dti-1366	127	22	in	in	ADP
dti-1366	127	23	the	the	DET
dti-1366	127	24	ligand	ligand	NOUN
dti-1366	127	25	sah-2696	sah-2696	NOUN
dti-1366	127	26	.	.	PUNCT
dti-1366	128	1	finally	finally	ADV
dti-1366	128	2	,	,	PUNCT
dti-1366	128	3	the	the	DET
dti-1366	128	4	interaction	interaction	NOUN
dti-1366	128	5	between	between	ADP
dti-1366	128	6	sah-1356	sah-1356	NOUN
dti-1366	128	7	and	and	CCONJ
dti-1366	128	8	ns5	ns5	NOUN
dti-1366	128	9	methyltransferase	methyltransferase	NOUN
dti-1366	128	10	enzyme	enzyme	NOUN
dti-1366	128	11	has	have	AUX
dti-1366	128	12	generated	generate	VERB
dti-1366	128	13	4	4	NUM
dti-1366	128	14	hydrogen	hydrogen	NOUN
dti-1366	128	15	bonds	bond	NOUN
dti-1366	128	16	,	,	PUNCT
dti-1366	128	17	with	with	ADP
dti-1366	128	18	3	3	NUM
dti-1366	128	19	of	of	ADP
dti-1366	128	20	them	they	PRON
dti-1366	128	21	occurring	occur	VERB
dti-1366	128	22	in	in	ADP
dti-1366	128	23	the	the	DET
dti-1366	128	24	active	active	ADJ
dti-1366	128	25	site	site	NOUN
dti-1366	128	26	(	(	PUNCT
dti-1366	128	27	figure	figure	NOUN
dti-1366	128	28	4	4	NUM
dti-1366	128	29	)	)	PUNCT
dti-1366	128	30	.	.	PUNCT
dti-1366	129	1	this	this	DET
dti-1366	129	2	result	result	NOUN
dti-1366	129	3	shows	show	VERB
dti-1366	129	4	that	that	SCONJ
dti-1366	129	5	the	the	DET
dti-1366	129	6	modified	modify	VERB
dti-1366	129	7	sahbased	sahbase	VERB
dti-1366	129	8	ligands	ligand	NOUN
dti-1366	129	9	have	have	VERB
dti-1366	129	10	a	a	DET
dti-1366	129	11	better	well	ADV
dti-1366	129	12	binding	bind	VERB
dti-1366	129	13	affinity	affinity	NOUN
dti-1366	129	14	regarding	regard	VERB
dti-1366	129	15	the	the	DET
dti-1366	129	16	hydrogen	hydrogen	NOUN
dti-1366	129	17	bonding	bonding	NOUN
dti-1366	129	18	than	than	ADP
dti-1366	129	19	the	the	DET
dti-1366	129	20	sah	sah	NOUN
dti-1366	129	21	,	,	PUNCT
dti-1366	129	22	sam	sam	PROPN
dti-1366	129	23	,	,	PUNCT
dti-1366	129	24	and	and	CCONJ
dti-1366	129	25	ctwyc	ctwyc	PROPN
dti-1366	129	26	ligands	ligand	NOUN
dti-1366	129	27	,	,	PUNCT
dti-1366	129	28	which	which	PRON
dti-1366	129	29	has	have	VERB
dti-1366	129	30	1	1	NUM
dti-1366	129	31	,	,	PUNCT
dti-1366	129	32	2	2	NUM
dti-1366	129	33	,	,	PUNCT
dti-1366	129	34	and	and	CCONJ
dti-1366	129	35	3	3	NUM
dti-1366	129	36	hydrogen	hydrogen	NOUN
dti-1366	129	37	bonds	bond	NOUN
dti-1366	129	38	in	in	ADP
dti-1366	129	39	the	the	DET
dti-1366	129	40	active	active	ADJ
dti-1366	129	41	site	site	NOUN
dti-1366	129	42	,	,	PUNCT
dti-1366	129	43	respectively	respectively	ADV
dti-1366	129	44	.	.	PUNCT
dti-1366	130	1	the	the	DET
dti-1366	130	2	molecular	molecular	ADJ
dti-1366	130	3	interaction	interaction	NOUN
dti-1366	130	4	between	between	ADP
dti-1366	130	5	ns5	ns5	NOUN
dti-1366	130	6	methyltransferase	methyltransferase	NOUN
dti-1366	130	7	enzyme	enzyme	NOUN
dti-1366	130	8	and	and	CCONJ
dti-1366	130	9	the	the	DET
dti-1366	130	10	modified	modify	VERB
dti-1366	130	11	sah	sah	NOUN
dti-1366	130	12	-	-	PUNCT
dti-1366	130	13	based	base	VERB
dti-1366	130	14	ligands	ligand	NOUN
dti-1366	130	15	,	,	PUNCT
dti-1366	130	16	as	as	ADV
dti-1366	130	17	well	well	ADV
dti-1366	130	18	as	as	ADP
dti-1366	130	19	the	the	DET
dti-1366	130	20	standard	standard	ADJ
dti-1366	130	21	ligands	ligand	NOUN
dti-1366	130	22	,	,	PUNCT
dti-1366	130	23	is	be	AUX
dti-1366	130	24	shown	show	VERB
dti-1366	130	25	in	in	ADP
dti-1366	130	26	figures	figure	NOUN
dti-1366	130	27	4	4	NUM
dti-1366	130	28	and	and	CCONJ
dti-1366	130	29	5	5	NUM
dti-1366	130	30	,	,	PUNCT
dti-1366	130	31	respectively	respectively	ADV
dti-1366	130	32	.	.	PUNCT
dti-1366	131	1	in	in	ADP
dti-1366	131	2	silico	silico	NOUN
dti-1366	131	3	adme	adme	NOUN
dti-1366	131	4	-	-	PUNCT
dti-1366	131	5	tox	tox	NOUN
dti-1366	131	6	prediction	prediction	NOUN
dti-1366	131	7	predicting	predict	VERB
dti-1366	131	8	adme	adme	NOUN
dti-1366	131	9	-	-	PUNCT
dti-1366	131	10	tox	tox	NOUN
dti-1366	131	11	properties	property	NOUN
dti-1366	131	12	by	by	ADP
dti-1366	131	13	adme	adme	NOUN
dti-1366	131	14	-	-	PUNCT
dti-1366	131	15	tox	tox	NOUN
dti-1366	131	16	software	software	NOUN
dti-1366	131	17	.	.	PUNCT
dti-1366	132	1	the	the	DET
dti-1366	132	2	process	process	NOUN
dti-1366	132	3	of	of	ADP
dti-1366	132	4	finding	find	VERB
dti-1366	132	5	a	a	DET
dti-1366	132	6	suitable	suitable	ADJ
dti-1366	132	7	,	,	PUNCT
dti-1366	132	8	yet	yet	ADV
dti-1366	132	9	effective	effective	ADJ
dti-1366	132	10	,	,	PUNCT
dti-1366	132	11	drug	drug	NOUN
dti-1366	132	12	for	for	ADP
dti-1366	132	13	a	a	DET
dti-1366	132	14	disease	disease	NOUN
dti-1366	132	15	can	can	AUX
dti-1366	132	16	be	be	AUX
dti-1366	132	17	considered	consider	VERB
dti-1366	132	18	by	by	ADP
dti-1366	132	19	their	their	PRON
dti-1366	132	20	adme	adme	NOUN
dti-1366	132	21	-	-	PUNCT
dti-1366	132	22	tox	tox	NOUN
dti-1366	132	23	(	(	PUNCT
dti-1366	132	24	absorption	absorption	NOUN
dti-1366	132	25	,	,	PUNCT
dti-1366	132	26	distribution	distribution	NOUN
dti-1366	132	27	,	,	PUNCT
dti-1366	132	28	table	table	NOUN
dti-1366	132	29	1	1	NUM
dti-1366	132	30	.	.	PUNCT
dti-1366	132	31	δgbinding	δgbinde	VERB
dti-1366	132	32	and	and	CCONJ
dti-1366	132	33	pki	pki	PROPN
dti-1366	132	34	value	value	NOUN
dti-1366	132	35	from	from	ADP
dti-1366	132	36	the	the	DET
dti-1366	132	37	docking	docking	NOUN
dti-1366	132	38	results	result	NOUN
dti-1366	132	39	.	.	PUNCT
dti-1366	133	1	ligand	ligand	NOUN
dti-1366	133	2	δgbinding	δgbinde	VERB
dti-1366	133	3	(	(	PUNCT
dti-1366	133	4	kcal	kcal	PROPN
dti-1366	133	5	/	/	SYM
dti-1366	133	6	mol	mol	NOUN
dti-1366	133	7	)	)	PUNCT
dti-1366	133	8	pki	pki	PROPN
dti-1366	133	9	sah	sah	PROPN
dti-1366	133	10	-	-	PUNCT
dti-1366	133	11	m331	m331	PROPN
dti-1366	133	12	−25.6660	−25.6660	PROPN
dti-1366	133	13	18.6972	18.6972	NUM
dti-1366	133	14	sah	sah	NOUN
dti-1366	133	15	-	-	PUNCT
dti-1366	133	16	m2696	m2696	PROPN
dti-1366	133	17	−22.3764	−22.3764	PROPN
dti-1366	133	18	16.3008	16.3008	NUM
dti-1366	133	19	sah	sah	NOUN
dti-1366	133	20	-	-	PUNCT
dti-1366	133	21	m1356	m1356	NOUN
dti-1366	133	22	−21.0147	−21.0147	PROPN
dti-1366	133	23	15.3088	15.3088	NUM
dti-1366	133	24	saha	saha	PROPN
dti-1366	133	25	−17.5047	−17.5047	PROPN
dti-1366	133	26	13.0172	13.0172	NUM
dti-1366	133	27	sama	sama	NOUN
dti-1366	133	28	−17.8713	−17.8713	PROPN
dti-1366	133	29	13.0189	13.0189	NUM
dti-1366	133	30	ctwyca	ctwyca	NOUN
dti-1366	133	31	−20.6330	−20.6330	PROPN
dti-1366	133	32	15.0317	15.0317	NUM
dti-1366	133	33	abbreviations	abbreviation	NOUN
dti-1366	133	34	:	:	PUNCT
dti-1366	133	35	sah	sah	NOUN
dti-1366	133	36	,	,	PUNCT
dti-1366	133	37	s	s	NOUN
dti-1366	133	38	-	-	PUNCT
dti-1366	133	39	adenosyl	adenosyl	ADJ
dti-1366	133	40	-	-	PUNCT
dti-1366	133	41	l	l	NOUN
dti-1366	133	42	-	-	NOUN
dti-1366	133	43	homocysteine	homocysteine	NOUN
dti-1366	133	44	;	;	PUNCT
dti-1366	133	45	sam	sam	PROPN
dti-1366	133	46	,	,	PUNCT
dti-1366	133	47	s	s	NOUN
dti-1366	133	48	-	-	PUNCT
dti-1366	133	49	adenosylmethionine	adenosylmethionine	NOUN
dti-1366	133	50	.	.	PUNCT
dti-1366	134	1	astandard	astandard	PROPN
dti-1366	134	2	ligand	ligand	NOUN
dti-1366	134	3	.	.	PUNCT
dti-1366	135	1	table	table	NOUN
dti-1366	135	2	2	2	NUM
dti-1366	135	3	.	.	PUNCT
dti-1366	135	4	ligand	ligand	ADJ
dti-1366	135	5	interaction	interaction	NOUN
dti-1366	135	6	with	with	ADP
dti-1366	135	7	the	the	DET
dti-1366	135	8	sam	sam	NOUN
dti-1366	135	9	-	-	PUNCT
dti-1366	135	10	binding	bind	VERB
dti-1366	135	11	site	site	NOUN
dti-1366	135	12	of	of	ADP
dti-1366	135	13	ns5	ns5	NOUN
dti-1366	135	14	methyltransferase	methyltransferase	NOUN
dti-1366	135	15	enzyme	enzyme	NOUN
dti-1366	135	16	.	.	PUNCT
dti-1366	136	1	ligand	ligand	NOUN
dti-1366	136	2	hydrogen	hydrogen	PROPN
dti-1366	136	3	bond	bond	NOUN
dti-1366	136	4	interaction	interaction	NOUN
dti-1366	136	5	site	site	NOUN
dti-1366	136	6	sah	sah	PROPN
dti-1366	136	7	-	-	PUNCT
dti-1366	136	8	m331	m331	PROPN
dti-1366	136	9	trp87	trp87	PROPN
dti-1366	136	10	,	,	PUNCT
dti-1366	136	11	asp146	asp146	NOUN
dti-1366	136	12	,	,	PUNCT
dti-1366	136	13	lys105	lys105	PROPN
dti-1366	136	14	,	,	PUNCT
dti-1366	136	15	lys181	lys181	PROPN
dti-1366	136	16	sah	sah	PROPN
dti-1366	136	17	-	-	PUNCT
dti-1366	136	18	m2696	m2696	NOUN
dti-1366	136	19	asp146	asp146	NOUN
dti-1366	136	20	,	,	PUNCT
dti-1366	136	21	lys181	lys181	PROPN
dti-1366	136	22	,	,	PUNCT
dti-1366	136	23	lys61	lys61	PROPN
dti-1366	136	24	,	,	PUNCT
dti-1366	136	25	trp87	trp87	PROPN
dti-1366	136	26	,	,	PUNCT
dti-1366	136	27	gly81	gly81	ADJ
dti-1366	136	28	sah	sah	PROPN
dti-1366	136	29	-	-	PUNCT
dti-1366	136	30	m1356	m1356	NOUN
dti-1366	136	31	lys105	lys105	NOUN
dti-1366	136	32	,	,	PUNCT
dti-1366	136	33	his110	his110	NOUN
dti-1366	136	34	,	,	PUNCT
dti-1366	136	35	glu149	glu149	NOUN
dti-1366	136	36	,	,	PUNCT
dti-1366	136	37	lys61	lys61	ADJ
dti-1366	136	38	,	,	PUNCT
dti-1366	136	39	asp146	asp146	PROPN
dti-1366	136	40	saha	saha	PROPN
dti-1366	136	41	arg160	arg160	PROPN
dti-1366	136	42	,	,	PUNCT
dti-1366	136	43	lys105	lys105	PROPN
dti-1366	136	44	,	,	PUNCT
dti-1366	136	45	glu149	glu149	PROPN
dti-1366	136	46	sama	sama	PROPN
dti-1366	136	47	asp	asp	PROPN
dti-1366	136	48	146	146	NUM
dti-1366	136	49	,	,	PUNCT
dti-1366	136	50	lys	lys	PROPN
dti-1366	136	51	61	61	NUM
dti-1366	136	52	,	,	PUNCT
dti-1366	136	53	glu111	glu111	PROPN
dti-1366	136	54	,	,	PUNCT
dti-1366	136	55	his110	his110	PROPN
dti-1366	136	56	ctwyca	ctwyca	PROPN
dti-1366	136	57	lys181	lys181	PROPN
dti-1366	136	58	,	,	PUNCT
dti-1366	136	59	asp146	asp146	NOUN
dti-1366	136	60	,	,	PUNCT
dti-1366	136	61	lys61	lys61	ADJ
dti-1366	136	62	,	,	PUNCT
dti-1366	136	63	arg57	arg57	PROPN
dti-1366	136	64	abbreviations	abbreviation	NOUN
dti-1366	136	65	:	:	PUNCT
dti-1366	136	66	sah	sah	NOUN
dti-1366	136	67	,	,	PUNCT
dti-1366	136	68	s	s	NOUN
dti-1366	136	69	-	-	PUNCT
dti-1366	136	70	adenosyl	adenosyl	ADJ
dti-1366	136	71	-	-	PUNCT
dti-1366	136	72	l	l	NOUN
dti-1366	136	73	-	-	NOUN
dti-1366	136	74	homocysteine	homocysteine	NOUN
dti-1366	136	75	;	;	PUNCT
dti-1366	136	76	sam	sam	PROPN
dti-1366	136	77	,	,	PUNCT
dti-1366	136	78	s	s	NOUN
dti-1366	136	79	-	-	PUNCT
dti-1366	136	80	adenosylmethionine	adenosylmethionine	NOUN
dti-1366	136	81	.	.	PUNCT
dti-1366	137	1	astandard	astandard	PROPN
dti-1366	137	2	ligand	ligand	PROPN
dti-1366	137	3	.	.	PUNCT
dti-1366	138	1	red	red	ADJ
dti-1366	138	2	color	color	NOUN
dti-1366	138	3	indicates	indicate	VERB
dti-1366	138	4	the	the	DET
dti-1366	138	5	active	active	ADJ
dti-1366	138	6	site	site	NOUN
dti-1366	138	7	of	of	ADP
dti-1366	138	8	ns5	ns5	NOUN
dti-1366	138	9	methyltransferase	methyltransferase	NOUN
dti-1366	138	10	enzyme	enzyme	NOUN
dti-1366	138	11	contact	contact	NOUN
dti-1366	138	12	.	.	PUNCT
dti-1366	139	1	6	6	NUM
dti-1366	139	2	drug	drug	NOUN
dti-1366	139	3	target	target	NOUN
dti-1366	139	4	insights	insight	NOUN
dti-1366	139	5	metabolism	metabolism	NOUN
dti-1366	139	6	,	,	PUNCT
dti-1366	139	7	excretion	excretion	NOUN
dti-1366	139	8	,	,	PUNCT
dti-1366	139	9	and	and	CCONJ
dti-1366	139	10	toxicity	toxicity	NOUN
dti-1366	139	11	)	)	PUNCT
dti-1366	139	12	properties	property	NOUN
dti-1366	139	13	.	.	PUNCT
dti-1366	140	1	any	any	DET
dti-1366	140	2	drug	drug	NOUN
dti-1366	140	3	candidates	candidate	NOUN
dti-1366	140	4	that	that	PRON
dti-1366	140	5	do	do	AUX
dti-1366	140	6	not	not	PART
dti-1366	140	7	meet	meet	VERB
dti-1366	140	8	the	the	DET
dti-1366	140	9	adme	adme	NOUN
dti-1366	140	10	-	-	PUNCT
dti-1366	140	11	tox	tox	NOUN
dti-1366	140	12	criteria	criterion	NOUN
dti-1366	140	13	will	will	AUX
dti-1366	140	14	be	be	AUX
dti-1366	140	15	eliminated	eliminate	VERB
dti-1366	140	16	to	to	PART
dti-1366	140	17	suppress	suppress	VERB
dti-1366	140	18	the	the	DET
dti-1366	140	19	failure	failure	NOUN
dti-1366	140	20	possibility	possibility	NOUN
dti-1366	140	21	in	in	ADP
dti-1366	140	22	clinical	clinical	ADJ
dti-1366	140	23	trials	trial	NOUN
dti-1366	140	24	.	.	PUNCT
dti-1366	141	1	nowadays	nowadays	ADV
dti-1366	141	2	,	,	PUNCT
dti-1366	141	3	the	the	DET
dti-1366	141	4	adme	adme	NOUN
dti-1366	141	5	-	-	PUNCT
dti-1366	141	6	tox	tox	NOUN
dti-1366	141	7	prediction	prediction	NOUN
dti-1366	141	8	can	can	AUX
dti-1366	141	9	be	be	AUX
dti-1366	141	10	easily	easily	ADV
dti-1366	141	11	made	make	VERB
dti-1366	141	12	with	with	ADP
dti-1366	141	13	the	the	DET
dti-1366	141	14	help	help	NOUN
dti-1366	141	15	of	of	ADP
dti-1366	141	16	computers	computer	NOUN
dti-1366	141	17	using	use	VERB
dti-1366	141	18	in	in	ADP
dti-1366	141	19	silico	silico	NOUN
dti-1366	141	20	method	method	NOUN
dti-1366	141	21	;	;	PUNCT
dti-1366	141	22	one	one	NUM
dti-1366	141	23	of	of	ADP
dti-1366	141	24	the	the	DET
dti-1366	141	25	software	software	NOUN
dti-1366	141	26	that	that	PRON
dti-1366	141	27	is	be	AUX
dti-1366	141	28	frequently	frequently	ADV
dti-1366	141	29	used	use	VERB
dti-1366	141	30	in	in	ADP
dti-1366	141	31	the	the	DET
dti-1366	141	32	analysis	analysis	NOUN
dti-1366	141	33	is	be	AUX
dti-1366	141	34	admetox	admetox	ADJ
dti-1366	141	35	,	,	PUNCT
dti-1366	141	36	which	which	PRON
dti-1366	141	37	is	be	AUX
dti-1366	141	38	an	an	DET
dti-1366	141	39	online	online	ADJ
dti-1366	141	40	software	software	NOUN
dti-1366	141	41	available	available	ADJ
dti-1366	141	42	in	in	ADP
dti-1366	141	43	acd	acd	PROPN
dti-1366	141	44	/	/	SYM
dti-1366	141	45	labs	lab	NOUN
dti-1366	141	46	(	(	PUNCT
dti-1366	141	47	via	via	ADP
dti-1366	141	48	https://ilab.acdlabs.com/ilab2/).59	https://ilab.acdlabs.com/ilab2/).59	NUM
dti-1366	141	49	through	through	ADP
dti-1366	141	50	this	this	DET
dti-1366	141	51	software	software	NOUN
dti-1366	141	52	,	,	PUNCT
dti-1366	141	53	we	we	PRON
dti-1366	141	54	can	can	AUX
dti-1366	141	55	predict	predict	VERB
dti-1366	141	56	the	the	DET
dti-1366	141	57	toxicity	toxicity	NOUN
dti-1366	141	58	properties	property	NOUN
dti-1366	141	59	of	of	ADP
dti-1366	141	60	a	a	DET
dti-1366	141	61	compound	compound	NOUN
dti-1366	141	62	by	by	ADP
dti-1366	141	63	comparing	compare	VERB
dti-1366	141	64	them	they	PRON
dti-1366	141	65	with	with	ADP
dti-1366	141	66	each	each	DET
dti-1366	141	67	fragment	fragment	NOUN
dti-1366	141	68	’s	’s	PART
dti-1366	141	69	properties	property	NOUN
dti-1366	141	70	that	that	PRON
dti-1366	141	71	are	be	AUX
dti-1366	141	72	stored	store	VERB
dti-1366	141	73	in	in	ADP
dti-1366	141	74	the	the	DET
dti-1366	141	75	database	database	NOUN
dti-1366	141	76	,	,	PUNCT
dti-1366	141	77	including	include	VERB
dti-1366	141	78	oral	oral	ADJ
dti-1366	141	79	bioavailability	bioavailability	NOUN
dti-1366	141	80	,	,	PUNCT
dti-1366	141	81	passive	passive	ADJ
dti-1366	141	82	absorption	absorption	NOUN
dti-1366	141	83	,	,	PUNCT
dti-1366	141	84	health	health	NOUN
dti-1366	141	85	effect	effect	NOUN
dti-1366	141	86	,	,	PUNCT
dti-1366	141	87	toxicity	toxicity	NOUN
dti-1366	141	88	probability	probability	NOUN
dti-1366	141	89	,	,	PUNCT
dti-1366	141	90	and	and	CCONJ
dti-1366	141	91	active	active	ADJ
dti-1366	141	92	transport	transport	NOUN
dti-1366	141	93	.	.	PUNCT
dti-1366	142	1	a	a	DET
dti-1366	142	2	bioactive	bioactive	ADJ
dti-1366	142	3	molecule	molecule	NOUN
dti-1366	142	4	which	which	PRON
dti-1366	142	5	has	have	VERB
dti-1366	142	6	a	a	DET
dti-1366	142	7	high	high	ADJ
dti-1366	142	8	oral	oral	ADJ
dti-1366	142	9	bioavailability	bioavailability	NOUN
dti-1366	142	10	is	be	AUX
dti-1366	142	11	often	often	ADV
dti-1366	142	12	considered	consider	VERB
dti-1366	142	13	and	and	CCONJ
dti-1366	142	14	can	can	AUX
dti-1366	142	15	be	be	AUX
dti-1366	142	16	developed	develop	VERB
dti-1366	142	17	further	far	ADV
dti-1366	142	18	as	as	ADP
dti-1366	142	19	therapeutic	therapeutic	ADJ
dti-1366	142	20	agents	agent	NOUN
dti-1366	142	21	for	for	ADP
dti-1366	142	22	many	many	ADJ
dti-1366	142	23	diseases.60	diseases.60	PROPN
dti-1366	142	24	the	the	DET
dti-1366	142	25	adme	adme	NOUN
dti-1366	142	26	-	-	PUNCT
dti-1366	142	27	tox	tox	NOUN
dti-1366	142	28	prediction	prediction	NOUN
dti-1366	142	29	using	use	VERB
dti-1366	142	30	adme	adme	NOUN
dti-1366	142	31	-	-	PUNCT
dti-1366	142	32	tox	tox	NOUN
dti-1366	142	33	software	software	NOUN
dti-1366	142	34	is	be	AUX
dti-1366	142	35	shown	show	VERB
dti-1366	142	36	in	in	ADP
dti-1366	142	37	table	table	NOUN
dti-1366	142	38	3	3	NUM
dti-1366	142	39	.	.	PUNCT
dti-1366	143	1	the	the	DET
dti-1366	143	2	numbers	number	NOUN
dti-1366	143	3	which	which	PRON
dti-1366	143	4	are	be	AUX
dti-1366	143	5	listed	list	VERB
dti-1366	143	6	in	in	ADP
dti-1366	143	7	the	the	DET
dti-1366	143	8	table	table	NOUN
dti-1366	143	9	show	show	VERB
dti-1366	143	10	the	the	DET
dti-1366	143	11	toxicity	toxicity	NOUN
dti-1366	143	12	probability	probability	NOUN
dti-1366	143	13	;	;	PUNCT
dti-1366	143	14	if	if	SCONJ
dti-1366	143	15	the	the	DET
dti-1366	143	16	score	score	NOUN
dti-1366	143	17	is	be	AUX
dti-1366	143	18	less	less	ADJ
dti-1366	143	19	than	than	ADP
dti-1366	143	20	0.7	0.7	NUM
dti-1366	143	21	,	,	PUNCT
dti-1366	143	22	then	then	ADV
dti-1366	143	23	we	we	PRON
dti-1366	143	24	assumed	assume	VERB
dti-1366	143	25	that	that	SCONJ
dti-1366	143	26	the	the	DET
dti-1366	143	27	compound	compound	NOUN
dti-1366	143	28	is	be	AUX
dti-1366	143	29	safe	safe	ADJ
dti-1366	143	30	for	for	ADP
dti-1366	143	31	the	the	DET
dti-1366	143	32	selected	select	VERB
dti-1366	143	33	organ	organ	NOUN
dti-1366	143	34	/	/	SYM
dti-1366	143	35	organ	organ	NOUN
dti-1366	143	36	system	system	NOUN
dti-1366	143	37	.	.	PUNCT
dti-1366	144	1	based	base	VERB
dti-1366	144	2	on	on	ADP
dti-1366	144	3	table	table	NOUN
dti-1366	144	4	3	3	NUM
dti-1366	144	5	,	,	PUNCT
dti-1366	144	6	all	all	PRON
dti-1366	144	7	of	of	ADP
dti-1366	144	8	the	the	DET
dti-1366	144	9	3	3	NUM
dti-1366	144	10	standard	standard	ADJ
dti-1366	144	11	ligands	ligand	NOUN
dti-1366	144	12	have	have	VERB
dti-1366	144	13	low	low	ADJ
dti-1366	144	14	oral	oral	ADJ
dti-1366	144	15	bioavailability	bioavailability	NOUN
dti-1366	144	16	,	,	PUNCT
dti-1366	144	17	yet	yet	CCONJ
dti-1366	144	18	they	they	PRON
dti-1366	144	19	have	have	VERB
dti-1366	144	20	weak	weak	ADJ
dti-1366	144	21	active	active	ADJ
dti-1366	144	22	transport	transport	NOUN
dti-1366	144	23	probability	probability	NOUN
dti-1366	144	24	.	.	PUNCT
dti-1366	145	1	however	however	ADV
dti-1366	145	2	,	,	PUNCT
dti-1366	145	3	the	the	DET
dti-1366	145	4	health	health	NOUN
dti-1366	145	5	effect	effect	NOUN
dti-1366	145	6	prediction	prediction	NOUN
dti-1366	145	7	of	of	ADP
dti-1366	145	8	these	these	DET
dti-1366	145	9	ligands	ligand	NOUN
dti-1366	145	10	shows	show	VERB
dti-1366	145	11	a	a	DET
dti-1366	145	12	real	real	ADJ
dti-1366	145	13	promise	promise	NOUN
dti-1366	145	14	,	,	PUNCT
dti-1366	145	15	as	as	SCONJ
dti-1366	145	16	they	they	PRON
dti-1366	145	17	have	have	VERB
dti-1366	145	18	great	great	ADJ
dti-1366	145	19	results	result	NOUN
dti-1366	145	20	compared	compare	VERB
dti-1366	145	21	with	with	ADP
dti-1366	145	22	their	their	PRON
dti-1366	145	23	standard	standard	ADJ
dti-1366	145	24	ligands	ligand	NOUN
dti-1366	145	25	.	.	PUNCT
dti-1366	146	1	overall	overall	ADV
dti-1366	146	2	,	,	PUNCT
dti-1366	146	3	this	this	DET
dti-1366	146	4	test	test	NOUN
dti-1366	146	5	revealed	reveal	VERB
dti-1366	146	6	sah	sah	NOUN
dti-1366	146	7	-	-	PUNCT
dti-1366	146	8	m1356	m1356	NOUN
dti-1366	146	9	as	as	ADP
dti-1366	146	10	the	the	DET
dti-1366	146	11	best	good	ADJ
dti-1366	146	12	ligand	ligand	NOUN
dti-1366	146	13	,	,	PUNCT
dti-1366	146	14	whereas	whereas	SCONJ
dti-1366	146	15	sah	sah	PROPN
dti-1366	146	16	-	-	PUNCT
dti-1366	146	17	m331	m331	PROPN
dti-1366	146	18	and	and	CCONJ
dti-1366	146	19	sah	sah	NOUN
dti-1366	146	20	-	-	PUNCT
dti-1366	146	21	m2696	m2696	NOUN
dti-1366	146	22	ligands	ligand	NOUN
dti-1366	146	23	show	show	VERB
dti-1366	146	24	less	less	ADV
dti-1366	146	25	favorable	favorable	ADJ
dti-1366	146	26	property	property	NOUN
dti-1366	146	27	than	than	ADP
dti-1366	146	28	the	the	DET
dti-1366	146	29	former	former	ADJ
dti-1366	146	30	ligand	ligand	NOUN
dti-1366	146	31	but	but	CCONJ
dti-1366	146	32	are	be	AUX
dti-1366	146	33	still	still	ADV
dti-1366	146	34	better	well	ADJ
dti-1366	146	35	than	than	ADP
dti-1366	146	36	the	the	DET
dti-1366	146	37	standard	standard	ADJ
dti-1366	146	38	ligands	ligand	NOUN
dti-1366	146	39	.	.	PUNCT
dti-1366	147	1	carcinogenicity	carcinogenicity	NOUN
dti-1366	147	2	and	and	CCONJ
dti-1366	147	3	mutagenicity	mutagenicity	NOUN
dti-1366	147	4	predicting	predict	VERB
dti-1366	147	5	test	test	NOUN
dti-1366	147	6	by	by	ADP
dti-1366	147	7	toxtree	toxtree	ADJ
dti-1366	147	8	software	software	NOUN
dti-1366	147	9	.	.	PUNCT
dti-1366	148	1	the	the	DET
dti-1366	148	2	next	next	ADJ
dti-1366	148	3	in	in	ADP
dti-1366	148	4	silico	silico	NOUN
dti-1366	148	5	analysis	analysis	NOUN
dti-1366	148	6	is	be	AUX
dti-1366	148	7	to	to	PART
dti-1366	148	8	determine	determine	VERB
dti-1366	148	9	the	the	DET
dti-1366	148	10	carcinogenicity	carcinogenicity	NOUN
dti-1366	148	11	and	and	CCONJ
dti-1366	148	12	mutagenicity	mutagenicity	NOUN
dti-1366	148	13	probabilities	probability	NOUN
dti-1366	148	14	of	of	ADP
dti-1366	148	15	a	a	DET
dti-1366	148	16	compound	compound	NOUN
dti-1366	148	17	.	.	PUNCT
dti-1366	149	1	figure	figure	NOUN
dti-1366	149	2	3	3	NUM
dti-1366	149	3	.	.	PUNCT
dti-1366	150	1	the	the	DET
dti-1366	150	2	chemical	chemical	NOUN
dti-1366	150	3	structures	structure	NOUN
dti-1366	150	4	of	of	ADP
dti-1366	150	5	the	the	DET
dti-1366	150	6	standards	standard	NOUN
dti-1366	150	7	and	and	CCONJ
dti-1366	150	8	the	the	DET
dti-1366	150	9	best	good	ADJ
dti-1366	150	10	ligands	ligand	NOUN
dti-1366	150	11	from	from	ADP
dti-1366	150	12	molecular	molecular	ADJ
dti-1366	150	13	docking	docking	NOUN
dti-1366	150	14	simulation	simulation	NOUN
dti-1366	150	15	.	.	PUNCT
dti-1366	151	1	https://ilab.acdlabs.com/ilab2/	https://ilab.acdlabs.com/ilab2/	PROPN
dti-1366	151	2	tambunan	tambunan	NOUN
dti-1366	151	3	et	et	NOUN
dti-1366	151	4	al	al	PROPN
dti-1366	151	5	7	7	NUM
dti-1366	151	6	figure	figure	NOUN
dti-1366	151	7	4	4	NUM
dti-1366	151	8	.	.	PUNCT
dti-1366	151	9	molecular	molecular	ADJ
dti-1366	151	10	interaction	interaction	NOUN
dti-1366	151	11	and	and	CCONJ
dti-1366	151	12	3	3	NUM
dti-1366	151	13	-	-	PUNCT
dti-1366	151	14	dimensional	dimensional	ADJ
dti-1366	151	15	visualization	visualization	NOUN
dti-1366	151	16	of	of	ADP
dti-1366	151	17	binding	bind	VERB
dti-1366	151	18	site	site	NOUN
dti-1366	151	19	of	of	ADP
dti-1366	151	20	sah	sah	NOUN
dti-1366	151	21	-	-	PUNCT
dti-1366	151	22	based	base	VERB
dti-1366	151	23	ligands	ligand	NOUN
dti-1366	151	24	,	,	PUNCT
dti-1366	151	25	namely	namely	ADV
dti-1366	151	26	,	,	PUNCT
dti-1366	151	27	sah	sah	PROPN
dti-1366	151	28	-	-	PUNCT
dti-1366	151	29	m331	m331	PROPN
dti-1366	151	30	(	(	PUNCT
dti-1366	151	31	top	top	NOUN
dti-1366	151	32	)	)	PUNCT
dti-1366	151	33	,	,	PUNCT
dti-1366	151	34	sah	sah	NOUN
dti-1366	151	35	-	-	PUNCT
dti-1366	151	36	m2696	m2696	PROPN
dti-1366	151	37	(	(	PUNCT
dti-1366	151	38	middle	middle	NOUN
dti-1366	151	39	)	)	PUNCT
dti-1366	151	40	,	,	PUNCT
dti-1366	151	41	and	and	CCONJ
dti-1366	151	42	sah	sah	NOUN
dti-1366	151	43	-	-	PUNCT
dti-1366	151	44	m1356	m1356	NOUN
dti-1366	151	45	(	(	PUNCT
dti-1366	151	46	bottom	bottom	ADJ
dti-1366	151	47	)	)	PUNCT
dti-1366	151	48	.	.	PUNCT
dti-1366	152	1	sah	sah	PROPN
dti-1366	152	2	indicates	indicate	VERB
dti-1366	152	3	s	s	NOUN
dti-1366	152	4	-	-	PUNCT
dti-1366	152	5	adenosyl	adenosyl	ADJ
dti-1366	152	6	-	-	PUNCT
dti-1366	152	7	l	l	NOUN
dti-1366	152	8	-	-	NOUN
dti-1366	152	9	homocysteine	homocysteine	NOUN
dti-1366	152	10	.	.	PUNCT
dti-1366	153	1	8	8	NUM
dti-1366	153	2	drug	drug	NOUN
dti-1366	153	3	target	target	NOUN
dti-1366	153	4	insights	insight	NOUN
dti-1366	153	5	figure	figure	VERB
dti-1366	153	6	5	5	NUM
dti-1366	153	7	.	.	PUNCT
dti-1366	153	8	molecular	molecular	ADJ
dti-1366	153	9	interaction	interaction	NOUN
dti-1366	153	10	and	and	CCONJ
dti-1366	153	11	3	3	NUM
dti-1366	153	12	-	-	PUNCT
dti-1366	153	13	dimensional	dimensional	ADJ
dti-1366	153	14	visualization	visualization	NOUN
dti-1366	153	15	of	of	ADP
dti-1366	153	16	binding	bind	VERB
dti-1366	153	17	site	site	NOUN
dti-1366	153	18	of	of	ADP
dti-1366	153	19	standard	standard	ADJ
dti-1366	153	20	ligands	ligand	NOUN
dti-1366	153	21	,	,	PUNCT
dti-1366	153	22	namely	namely	ADV
dti-1366	153	23	,	,	PUNCT
dti-1366	153	24	sah	sah	NOUN
dti-1366	153	25	(	(	PUNCT
dti-1366	153	26	top	top	NOUN
dti-1366	153	27	)	)	PUNCT
dti-1366	153	28	,	,	PUNCT
dti-1366	153	29	sam	sam	PROPN
dti-1366	153	30	(	(	PUNCT
dti-1366	153	31	middle	middle	ADJ
dti-1366	153	32	)	)	PUNCT
dti-1366	153	33	,	,	PUNCT
dti-1366	153	34	and	and	CCONJ
dti-1366	153	35	ctwyc	ctwyc	PROPN
dti-1366	153	36	(	(	PUNCT
dti-1366	153	37	bottom	bottom	NOUN
dti-1366	153	38	)	)	PUNCT
dti-1366	153	39	.	.	PUNCT
dti-1366	154	1	sah	sah	PROPN
dti-1366	154	2	indicates	indicate	VERB
dti-1366	154	3	s	s	NOUN
dti-1366	154	4	-	-	PUNCT
dti-1366	154	5	adenosyl	adenosyl	ADJ
dti-1366	154	6	-	-	PUNCT
dti-1366	154	7	l	l	NOUN
dti-1366	154	8	-	-	NOUN
dti-1366	154	9	homocysteine	homocysteine	NOUN
dti-1366	154	10	;	;	PUNCT
dti-1366	154	11	sam	sam	PROPN
dti-1366	154	12	,	,	PUNCT
dti-1366	154	13	s	s	NOUN
dti-1366	154	14	-	-	PUNCT
dti-1366	154	15	adenosylmethionine	adenosylmethionine	NOUN
dti-1366	154	16	.	.	PUNCT
dti-1366	155	1	tambunan	tambunan	PROPN
dti-1366	155	2	et	et	PROPN
dti-1366	155	3	al	al	PROPN
dti-1366	155	4	9	9	NUM
dti-1366	155	5	therefore	therefore	ADV
dti-1366	155	6	,	,	PUNCT
dti-1366	155	7	the	the	DET
dti-1366	155	8	toxtree	toxtree	NOUN
dti-1366	155	9	(	(	PUNCT
dti-1366	155	10	v2.5.0	v2.5.0	NOUN
dti-1366	155	11	)	)	PUNCT
dti-1366	155	12	software	software	NOUN
dti-1366	155	13	was	be	AUX
dti-1366	155	14	used.42	used.42	INTJ
dti-1366	155	15	this	this	DET
dti-1366	155	16	software	software	NOUN
dti-1366	155	17	predicts	predict	VERB
dti-1366	155	18	the	the	DET
dti-1366	155	19	probabilities	probability	NOUN
dti-1366	155	20	based	base	VERB
dti-1366	155	21	on	on	ADP
dti-1366	155	22	the	the	DET
dti-1366	155	23	benigni/	benigni/	NUM
dti-1366	155	24	bossa	bossa	NOUN
dti-1366	155	25	rule	rule	NOUN
dti-1366	155	26	for	for	ADP
dti-1366	155	27	carcinogenicity	carcinogenicity	NOUN
dti-1366	155	28	and	and	CCONJ
dti-1366	155	29	mutagenicity	mutagenicity	NOUN
dti-1366	155	30	compounds	compound	NOUN
dti-1366	155	31	,	,	PUNCT
dti-1366	155	32	which	which	PRON
dti-1366	155	33	involves	involve	VERB
dti-1366	155	34	searching	search	VERB
dti-1366	155	35	the	the	DET
dti-1366	155	36	structural	structural	ADJ
dti-1366	155	37	alerts	alert	NOUN
dti-1366	155	38	of	of	ADP
dti-1366	155	39	a	a	DET
dti-1366	155	40	fragment	fragment	NOUN
dti-1366	155	41	that	that	PRON
dti-1366	155	42	could	could	AUX
dti-1366	155	43	potentially	potentially	ADV
dti-1366	155	44	contain	contain	VERB
dti-1366	155	45	either	either	CCONJ
dti-1366	155	46	mutagenic	mutagenic	ADJ
dti-1366	155	47	or	or	CCONJ
dti-1366	155	48	carcinogenic	carcinogenic	ADJ
dti-1366	155	49	property	property	NOUN
dti-1366	155	50	in	in	ADP
dti-1366	155	51	the	the	DET
dti-1366	155	52	compound.61	compound.61	NOUN
dti-1366	155	53	the	the	DET
dti-1366	155	54	carcinogenic	carcinogenic	ADJ
dti-1366	155	55	properties	property	NOUN
dti-1366	155	56	of	of	ADP
dti-1366	155	57	a	a	DET
dti-1366	155	58	compound	compound	NOUN
dti-1366	155	59	can	can	AUX
dti-1366	155	60	fall	fall	VERB
dti-1366	155	61	into	into	ADP
dti-1366	155	62	3	3	NUM
dti-1366	155	63	categories	category	NOUN
dti-1366	155	64	:	:	PUNCT
dti-1366	155	65	genotoxic	genotoxic	ADJ
dti-1366	155	66	,	,	PUNCT
dti-1366	155	67	nongenotoxic	nongenotoxic	ADV
dti-1366	155	68	,	,	PUNCT
dti-1366	155	69	and	and	CCONJ
dti-1366	155	70	quantitative	quantitative	ADJ
dti-1366	155	71	structure	structure	NOUN
dti-1366	155	72	activity	activity	NOUN
dti-1366	155	73	relationship	relationship	NOUN
dti-1366	155	74	(	(	PUNCT
dti-1366	155	75	qsar)–based	qsar)–base	VERB
dti-1366	155	76	carcinogens	carcinogen	NOUN
dti-1366	155	77	,	,	PUNCT
dti-1366	155	78	whereas	whereas	SCONJ
dti-1366	155	79	the	the	DET
dti-1366	155	80	mutagenic	mutagenic	ADJ
dti-1366	155	81	feature	feature	NOUN
dti-1366	155	82	of	of	ADP
dti-1366	155	83	a	a	DET
dti-1366	155	84	compound	compound	NOUN
dti-1366	155	85	can	can	AUX
dti-1366	155	86	be	be	AUX
dti-1366	155	87	determined	determine	VERB
dti-1366	155	88	by	by	ADP
dti-1366	155	89	testing	test	VERB
dti-1366	155	90	it	it	PRON
dti-1366	155	91	against	against	ADP
dti-1366	155	92	salmonella	salmonella	NOUN
dti-1366	155	93	typhimurium	typhimurium	NOUN
dti-1366	155	94	.	.	PUNCT
dti-1366	156	1	the	the	DET
dti-1366	156	2	results	result	NOUN
dti-1366	156	3	from	from	ADP
dti-1366	156	4	this	this	DET
dti-1366	156	5	trial	trial	NOUN
dti-1366	156	6	are	be	AUX
dti-1366	156	7	shown	show	VERB
dti-1366	156	8	in	in	ADP
dti-1366	156	9	table	table	NOUN
dti-1366	156	10	4	4	NUM
dti-1366	156	11	.	.	PUNCT
dti-1366	157	1	it	it	PRON
dti-1366	157	2	can	can	AUX
dti-1366	157	3	be	be	AUX
dti-1366	157	4	seen	see	VERB
dti-1366	157	5	from	from	ADP
dti-1366	157	6	table	table	NOUN
dti-1366	157	7	4	4	NUM
dti-1366	157	8	that	that	PRON
dti-1366	157	9	sam	sam	PROPN
dti-1366	157	10	and	and	CCONJ
dti-1366	157	11	ctwyc	ctwyc	PROPN
dti-1366	157	12	peptide	peptide	NOUN
dti-1366	157	13	ligands	ligand	NOUN
dti-1366	157	14	have	have	VERB
dti-1366	157	15	good	good	ADJ
dti-1366	157	16	properties	property	NOUN
dti-1366	157	17	,	,	PUNCT
dti-1366	157	18	which	which	PRON
dti-1366	157	19	did	do	AUX
dti-1366	157	20	not	not	PART
dti-1366	157	21	show	show	VERB
dti-1366	157	22	any	any	DET
dti-1366	157	23	carcinogenicity	carcinogenicity	NOUN
dti-1366	157	24	or	or	CCONJ
dti-1366	157	25	mutagenicity	mutagenicity	NOUN
dti-1366	157	26	probability	probability	NOUN
dti-1366	157	27	.	.	PUNCT
dti-1366	158	1	however	however	ADV
dti-1366	158	2	,	,	PUNCT
dti-1366	158	3	the	the	DET
dti-1366	158	4	sah	sah	NOUN
dti-1366	158	5	ligand	ligand	NOUN
dti-1366	158	6	showed	show	VERB
dti-1366	158	7	positive	positive	ADJ
dti-1366	158	8	results	result	NOUN
dti-1366	158	9	in	in	ADP
dti-1366	158	10	genotoxic	genotoxic	ADJ
dti-1366	158	11	carcinogens	carcinogen	NOUN
dti-1366	158	12	.	.	PUNCT
dti-1366	159	1	interestingly	interestingly	ADV
dti-1366	159	2	,	,	PUNCT
dti-1366	159	3	sah	sah	PROPN
dti-1366	159	4	-	-	PUNCT
dti-1366	159	5	m331	m331	PROPN
dti-1366	159	6	and	and	CCONJ
dti-1366	159	7	sah	sah	NOUN
dti-1366	159	8	-	-	PUNCT
dti-1366	159	9	m2696	m2696	NOUN
dti-1366	159	10	ligands	ligand	NOUN
dti-1366	159	11	are	be	AUX
dti-1366	159	12	indicated	indicate	VERB
dti-1366	159	13	to	to	PART
dti-1366	159	14	have	have	VERB
dti-1366	159	15	same	same	ADJ
dti-1366	159	16	properties	property	NOUN
dti-1366	159	17	as	as	ADV
dti-1366	159	18	well	well	ADV
dti-1366	159	19	.	.	PUNCT
dti-1366	160	1	in	in	ADP
dti-1366	160	2	this	this	DET
dti-1366	160	3	test	test	NOUN
dti-1366	160	4	,	,	PUNCT
dti-1366	160	5	once	once	ADV
dti-1366	160	6	again	again	ADV
dti-1366	160	7	,	,	PUNCT
dti-1366	160	8	the	the	DET
dti-1366	160	9	sah	sah	NOUN
dti-1366	160	10	-	-	PUNCT
dti-1366	160	11	m1356	m1356	NOUN
dti-1366	160	12	ligand	ligand	NOUN
dti-1366	160	13	proves	prove	VERB
dti-1366	160	14	to	to	PART
dti-1366	160	15	be	be	AUX
dti-1366	160	16	the	the	DET
dti-1366	160	17	best	good	ADJ
dti-1366	160	18	ligand	ligand	NOUN
dti-1366	160	19	for	for	ADP
dti-1366	160	20	showing	show	VERB
dti-1366	160	21	no	no	DET
dti-1366	160	22	carcinogenic	carcinogenic	ADJ
dti-1366	160	23	or	or	CCONJ
dti-1366	160	24	mutagenic	mutagenic	ADJ
dti-1366	160	25	possibility	possibility	NOUN
dti-1366	160	26	.	.	PUNCT
dti-1366	161	1	druglikeness	druglikeness	NOUN
dti-1366	161	2	prediction	prediction	NOUN
dti-1366	161	3	by	by	ADP
dti-1366	161	4	osiris	osiris	PROPN
dti-1366	161	5	property	property	NOUN
dti-1366	161	6	explorer	explorer	PROPN
dti-1366	161	7	software	software	NOUN
dti-1366	161	8	.	.	PUNCT
dti-1366	162	1	the	the	DET
dti-1366	162	2	toxicity	toxicity	NOUN
dti-1366	162	3	and	and	CCONJ
dti-1366	162	4	druglikeness	druglikeness	NOUN
dti-1366	162	5	analyses	analysis	NOUN
dti-1366	162	6	can	can	AUX
dti-1366	162	7	be	be	AUX
dti-1366	162	8	performed	perform	VERB
dti-1366	162	9	further	far	ADV
dti-1366	162	10	using	use	VERB
dti-1366	162	11	osiris	osiris	PROPN
dti-1366	162	12	property	property	NOUN
dti-1366	162	13	explorer	explorer	NOUN
dti-1366	162	14	software	software	NOUN
dti-1366	162	15	(	(	PUNCT
dti-1366	162	16	www.organic	www.organic	ADJ
dti-1366	162	17	-	-	NOUN
dti-1366	162	18	chemistry.org).43,62	chemistry.org).43,62	VERB
dti-1366	162	19	the	the	DET
dti-1366	162	20	analysis	analysis	NOUN
dti-1366	162	21	using	use	VERB
dti-1366	162	22	this	this	DET
dti-1366	162	23	software	software	NOUN
dti-1366	162	24	is	be	AUX
dti-1366	162	25	similar	similar	ADJ
dti-1366	162	26	to	to	ADP
dti-1366	162	27	toxtree	toxtree	ADJ
dti-1366	162	28	software	software	NOUN
dti-1366	162	29	,	,	PUNCT
dti-1366	162	30	such	such	ADJ
dti-1366	162	31	as	as	ADP
dti-1366	162	32	mutagenic	mutagenic	ADJ
dti-1366	162	33	and	and	CCONJ
dti-1366	162	34	carcinogenic	carcinogenic	ADJ
dti-1366	162	35	analysis	analysis	NOUN
dti-1366	162	36	.	.	PUNCT
dti-1366	163	1	however	however	ADV
dti-1366	163	2	,	,	PUNCT
dti-1366	163	3	the	the	DET
dti-1366	163	4	osiris	osiris	PROPN
dti-1366	163	5	property	property	NOUN
dti-1366	163	6	explorer	explorer	NOUN
dti-1366	163	7	also	also	ADV
dti-1366	163	8	offers	offer	VERB
dti-1366	163	9	irritant	irritant	ADJ
dti-1366	163	10	,	,	PUNCT
dti-1366	163	11	reproductive	reproductive	ADJ
dti-1366	163	12	harmless	harmless	NOUN
dti-1366	163	13	,	,	PUNCT
dti-1366	163	14	and	and	CCONJ
dti-1366	163	15	druglikeness	druglikeness	NOUN
dti-1366	163	16	analysis	analysis	NOUN
dti-1366	163	17	,	,	PUNCT
dti-1366	163	18	which	which	PRON
dti-1366	163	19	is	be	AUX
dti-1366	163	20	more	more	ADV
dti-1366	163	21	useful	useful	ADJ
dti-1366	163	22	and	and	CCONJ
dti-1366	163	23	beneficial	beneficial	ADJ
dti-1366	163	24	than	than	ADP
dti-1366	163	25	the	the	DET
dti-1366	163	26	later	later	ADJ
dti-1366	163	27	software	software	NOUN
dti-1366	163	28	regarding	regard	VERB
dti-1366	163	29	drug	drug	NOUN
dti-1366	163	30	design	design	NOUN
dti-1366	163	31	and	and	CCONJ
dti-1366	163	32	discovery	discovery	PROPN
dti-1366	163	33	field.63	field.63	PROPN
dti-1366	163	34	druglikeness	druglikeness	NOUN
dti-1366	163	35	is	be	AUX
dti-1366	163	36	related	relate	VERB
dti-1366	163	37	to	to	ADP
dti-1366	163	38	the	the	DET
dti-1366	163	39	lipinski	lipinski	PROPN
dti-1366	163	40	rule	rule	NOUN
dti-1366	163	41	(	(	PUNCT
dti-1366	163	42	also	also	ADV
dti-1366	163	43	known	know	VERB
dti-1366	163	44	as	as	ADP
dti-1366	163	45	lipinski	lipinski	PROPN
dti-1366	163	46	rule	rule	NOUN
dti-1366	163	47	of	of	ADP
dti-1366	163	48	five	five	NUM
dti-1366	163	49	,	,	PUNCT
dti-1366	163	50	ro5	ro5	NOUN
dti-1366	163	51	)	)	PUNCT
dti-1366	163	52	.	.	PUNCT
dti-1366	164	1	this	this	DET
dti-1366	164	2	rule	rule	NOUN
dti-1366	164	3	helps	help	VERB
dti-1366	164	4	us	we	PRON
dti-1366	164	5	to	to	PART
dti-1366	164	6	distinguish	distinguish	VERB
dti-1366	164	7	between	between	ADP
dti-1366	164	8	drug	drug	NOUN
dti-1366	164	9	-	-	PUNCT
dti-1366	164	10	like	like	ADJ
dti-1366	164	11	and	and	CCONJ
dti-1366	164	12	non	non	ADJ
dti-1366	164	13	–	–	NOUN
dti-1366	164	14	drug	drug	NOUN
dti-1366	164	15	-	-	PUNCT
dti-1366	164	16	like	like	ADJ
dti-1366	164	17	molecules	molecule	NOUN
dti-1366	164	18	by	by	ADP
dti-1366	164	19	predicting	predict	VERB
dti-1366	164	20	its	its	PRON
dti-1366	164	21	oral	oral	ADJ
dti-1366	164	22	bioavailability	bioavailability	NOUN
dti-1366	164	23	through	through	ADP
dti-1366	164	24	its	its	PRON
dti-1366	164	25	molecular	molecular	ADJ
dti-1366	164	26	properties.64	properties.64	NOUN
dti-1366	164	27	in	in	ADP
dti-1366	164	28	general	general	ADJ
dti-1366	164	29	,	,	PUNCT
dti-1366	164	30	this	this	DET
dti-1366	164	31	rule	rule	NOUN
dti-1366	164	32	states	state	VERB
dti-1366	164	33	that	that	SCONJ
dti-1366	164	34	the	the	DET
dti-1366	164	35	probability	probability	NOUN
dti-1366	164	36	of	of	ADP
dti-1366	164	37	a	a	DET
dti-1366	164	38	compound	compound	NOUN
dti-1366	164	39	to	to	PART
dti-1366	164	40	be	be	AUX
dti-1366	164	41	absorbed	absorb	VERB
dti-1366	164	42	into	into	ADP
dti-1366	164	43	the	the	DET
dti-1366	164	44	human	human	ADJ
dti-1366	164	45	body	body	NOUN
dti-1366	164	46	via	via	ADP
dti-1366	164	47	lipid	lipid	ADJ
dti-1366	164	48	bilayer	bilayer	NOUN
dti-1366	164	49	is	be	AUX
dti-1366	164	50	high	high	ADJ
dti-1366	164	51	if	if	SCONJ
dti-1366	164	52	it	it	PRON
dti-1366	164	53	satisfies	satisfy	VERB
dti-1366	164	54	two	two	NUM
dti-1366	164	55	or	or	CCONJ
dti-1366	164	56	more	more	ADJ
dti-1366	164	57	criteria	criterion	NOUN
dti-1366	164	58	below	below	ADP
dti-1366	164	59	:	:	PUNCT
dti-1366	164	60	••	••	NOUN
dti-1366	164	61	the	the	DET
dti-1366	164	62	molecular	molecular	ADJ
dti-1366	164	63	weight	weight	NOUN
dti-1366	164	64	of	of	ADP
dti-1366	164	65	the	the	DET
dti-1366	164	66	compound	compound	NOUN
dti-1366	164	67	is	be	AUX
dti-1366	164	68	less	less	ADJ
dti-1366	164	69	than	than	ADP
dti-1366	164	70	500	500	NUM
dti-1366	164	71	g	g	NOUN
dti-1366	164	72	/	/	SYM
dti-1366	164	73	mol	mol	NOUN
dti-1366	164	74	;	;	PUNCT
dti-1366	164	75	••	••	NOUN
dti-1366	164	76	has	have	VERB
dti-1366	164	77	high	high	ADJ
dti-1366	164	78	lipophilicity	lipophilicity	NOUN
dti-1366	164	79	(	(	PUNCT
dti-1366	164	80	logp	logp	NOUN
dti-1366	164	81	less	less	ADJ
dti-1366	164	82	than	than	ADP
dti-1366	164	83	5.0	5.0	NUM
dti-1366	164	84	)	)	PUNCT
dti-1366	164	85	;	;	PUNCT
dti-1366	164	86	table	table	NOUN
dti-1366	164	87	3	3	NUM
dti-1366	164	88	.	.	PUNCT
dti-1366	165	1	the	the	DET
dti-1366	165	2	absorption	absorption	NOUN
dti-1366	165	3	,	,	PUNCT
dti-1366	165	4	distribution	distribution	NOUN
dti-1366	165	5	,	,	PUNCT
dti-1366	165	6	metabolism	metabolism	NOUN
dti-1366	165	7	,	,	PUNCT
dti-1366	165	8	excretion	excretion	NOUN
dti-1366	165	9	,	,	PUNCT
dti-1366	165	10	and	and	CCONJ
dti-1366	165	11	toxicity	toxicity	NOUN
dti-1366	165	12	(	(	PUNCT
dti-1366	165	13	adme	adme	NOUN
dti-1366	165	14	-	-	PUNCT
dti-1366	165	15	tox	tox	NOUN
dti-1366	165	16	)	)	PUNCT
dti-1366	165	17	property	property	NOUN
dti-1366	165	18	prediction	prediction	NOUN
dti-1366	165	19	by	by	ADP
dti-1366	165	20	adme	adme	NOUN
dti-1366	165	21	-	-	PUNCT
dti-1366	165	22	tox	tox	NOUN
dti-1366	165	23	software	software	NOUN
dti-1366	165	24	.	.	PUNCT
dti-1366	166	1	parameters	parameter	NOUN
dti-1366	166	2	/	/	SYM
dti-1366	166	3	ligands	ligand	NOUN
dti-1366	166	4	sah	sah	PROPN
dti-1366	166	5	-	-	PUNCT
dti-1366	166	6	m331	m331	PROPN
dti-1366	166	7	sah	sah	PROPN
dti-1366	166	8	-	-	PUNCT
dti-1366	166	9	m2696	m2696	NOUN
dti-1366	166	10	sah	sah	NOUN
dti-1366	166	11	-	-	PUNCT
dti-1366	166	12	m1356	m1356	PROPN
dti-1366	166	13	saha	saha	PROPN
dti-1366	166	14	sama	sama	PROPN
dti-1366	166	15	ctwyca	ctwyca	PROPN
dti-1366	166	16	oral	oral	ADJ
dti-1366	166	17	bioavailability	bioavailability	NOUN
dti-1366	166	18	less	less	ADJ
dti-1366	166	19	than	than	ADP
dti-1366	166	20	30	30	NUM
dti-1366	166	21	%	%	NOUN
dti-1366	166	22	less	less	ADJ
dti-1366	166	23	than	than	ADP
dti-1366	166	24	30	30	NUM
dti-1366	166	25	%	%	NOUN
dti-1366	166	26	less	less	ADJ
dti-1366	166	27	than	than	ADP
dti-1366	166	28	30	30	NUM
dti-1366	166	29	%	%	NOUN
dti-1366	166	30	less	less	ADJ
dti-1366	166	31	than	than	ADP
dti-1366	166	32	30	30	NUM
dti-1366	166	33	%	%	NOUN
dti-1366	166	34	less	less	ADJ
dti-1366	166	35	than	than	ADP
dti-1366	166	36	30	30	NUM
dti-1366	166	37	%	%	NOUN
dti-1366	166	38	less	less	ADJ
dti-1366	166	39	than	than	ADP
dti-1366	166	40	30	30	NUM
dti-1366	166	41	%	%	NOUN
dti-1366	166	42	passive	passive	ADJ
dti-1366	166	43	absorption	absorption	NOUN
dti-1366	166	44	poor	poor	ADJ
dti-1366	166	45	poor	poor	ADJ
dti-1366	166	46	poor	poor	ADJ
dti-1366	166	47	poor	poor	ADJ
dti-1366	166	48	poor	poor	ADJ
dti-1366	166	49	poor	poor	ADJ
dti-1366	166	50	health	health	NOUN
dti-1366	166	51	effects	effect	NOUN
dti-1366	166	52	blood	blood	NOUN
dti-1366	166	53	0.78	0.78	NUM
dti-1366	166	54	0.83	0.83	NUM
dti-1366	166	55	0.67	0.67	NUM
dti-1366	166	56	0.79	0.79	NUM
dti-1366	166	57	0.10	0.10	NUM
dti-1366	166	58	0.99	0.99	NUM
dti-1366	166	59	cardiovascular	cardiovascular	ADJ
dti-1366	166	60	0.01	0.01	NUM
dti-1366	166	61	0.39	0.39	NUM
dti-1366	166	62	0.21	0.21	NUM
dti-1366	166	63	0.37	0.37	NUM
dti-1366	166	64	0.48	0.48	NUM
dti-1366	166	65	0.67	0.67	NUM
dti-1366	166	66	gastrointestinal	gastrointestinal	ADJ
dti-1366	166	67	0.93	0.93	NUM
dti-1366	166	68	0.70	0.70	NUM
dti-1366	166	69	0.78	0.78	NUM
dti-1366	166	70	0.99	0.99	NUM
dti-1366	166	71	0.98	0.98	NUM
dti-1366	166	72	0.76	0.76	NUM
dti-1366	166	73	kidney	kidney	NOUN
dti-1366	166	74	0.69	0.69	NUM
dti-1366	166	75	0.79	0.79	NUM
dti-1366	166	76	0.16	0.16	NUM
dti-1366	166	77	0.23	0.23	NUM
dti-1366	166	78	0.81	0.81	NUM
dti-1366	166	79	0.89	0.89	NUM
dti-1366	166	80	liver	liver	NOUN
dti-1366	166	81	0.74	0.74	NUM
dti-1366	166	82	0.58	0.58	NUM
dti-1366	166	83	0.58	0.58	NUM
dti-1366	166	84	0.66	0.66	NUM
dti-1366	166	85	0.83	0.83	NUM
dti-1366	166	86	1	1	NUM
dti-1366	166	87	lungs	lung	NOUN
dti-1366	166	88	0.59	0.59	NUM
dti-1366	166	89	0.39	0.39	NUM
dti-1366	166	90	0.12	0.12	NUM
dti-1366	166	91	0.18	0.18	NUM
dti-1366	166	92	0.51	0.51	NUM
dti-1366	166	93	0.07	0.07	NUM
dti-1366	166	94	active	active	ADJ
dti-1366	166	95	transport	transport	NOUN
dti-1366	167	1	pep	pep	NOUN
dti-1366	167	2	t1	t1	NOUN
dti-1366	167	3	not	not	PART
dti-1366	167	4	transported	transport	VERB
dti-1366	167	5	not	not	PART
dti-1366	167	6	transported	transport	VERB
dti-1366	167	7	not	not	PART
dti-1366	167	8	transported	transport	VERB
dti-1366	167	9	not	not	PART
dti-1366	167	10	transported	transport	VERB
dti-1366	167	11	not	not	PART
dti-1366	167	12	transported	transport	VERB
dti-1366	167	13	not	not	PART
dti-1366	167	14	transported	transport	VERB
dti-1366	167	15	asbt	asbt	NOUN
dti-1366	167	16	not	not	PART
dti-1366	167	17	transported	transport	VERB
dti-1366	167	18	not	not	PART
dti-1366	167	19	transported	transport	VERB
dti-1366	167	20	not	not	PART
dti-1366	167	21	transported	transport	VERB
dti-1366	167	22	not	not	PART
dti-1366	167	23	transported	transport	VERB
dti-1366	167	24	not	not	PART
dti-1366	167	25	transported	transport	VERB
dti-1366	167	26	not	not	PART
dti-1366	167	27	transported	transport	VERB
dti-1366	167	28	abbreviations	abbreviation	NOUN
dti-1366	167	29	:	:	PUNCT
dti-1366	168	1	sah	sah	NOUN
dti-1366	168	2	,	,	PUNCT
dti-1366	168	3	s	s	NOUN
dti-1366	168	4	-	-	PUNCT
dti-1366	168	5	adenosyl	adenosyl	ADJ
dti-1366	168	6	-	-	PUNCT
dti-1366	168	7	l	l	NOUN
dti-1366	168	8	-	-	NOUN
dti-1366	168	9	homocysteine	homocysteine	NOUN
dti-1366	168	10	;	;	PUNCT
dti-1366	168	11	sam	sam	PROPN
dti-1366	168	12	,	,	PUNCT
dti-1366	168	13	s	s	NOUN
dti-1366	168	14	-	-	PUNCT
dti-1366	168	15	adenosylmethionine	adenosylmethionine	NOUN
dti-1366	168	16	.	.	PUNCT
dti-1366	169	1	astandard	astandard	PROPN
dti-1366	169	2	ligand	ligand	NOUN
dti-1366	169	3	.	.	PUNCT
dti-1366	170	1	table	table	NOUN
dti-1366	170	2	4	4	NUM
dti-1366	170	3	.	.	PUNCT
dti-1366	170	4	carcinogenicity	carcinogenicity	NOUN
dti-1366	170	5	and	and	CCONJ
dti-1366	170	6	mutagenicity	mutagenicity	NOUN
dti-1366	170	7	prediction	prediction	NOUN
dti-1366	170	8	by	by	ADP
dti-1366	170	9	toxtree	toxtree	ADJ
dti-1366	170	10	software	software	NOUN
dti-1366	170	11	.	.	PUNCT
dti-1366	171	1	parameters	parameter	NOUN
dti-1366	171	2	/	/	SYM
dti-1366	171	3	ligands	ligand	NOUN
dti-1366	171	4	sah	sah	PROPN
dti-1366	171	5	-	-	PUNCT
dti-1366	171	6	m331	m331	PROPN
dti-1366	171	7	sah	sah	PROPN
dti-1366	171	8	-	-	PUNCT
dti-1366	171	9	m2696	m2696	NOUN
dti-1366	171	10	sah	sah	NOUN
dti-1366	171	11	-	-	PUNCT
dti-1366	171	12	m1356	m1356	PROPN
dti-1366	171	13	saha	saha	PROPN
dti-1366	171	14	sama	sama	PROPN
dti-1366	171	15	ctwyca	ctwyca	PROPN
dti-1366	171	16	negative	negative	ADJ
dti-1366	171	17	for	for	ADP
dti-1366	171	18	genotoxic	genotoxic	ADJ
dti-1366	171	19	carcinogenicity	carcinogenicity	NOUN
dti-1366	172	1	no	no	INTJ
dti-1366	172	2	no	no	INTJ
dti-1366	173	1	yes	yes	INTJ
dti-1366	174	1	no	no	INTJ
dti-1366	175	1	yes	yes	INTJ
dti-1366	175	2	yes	yes	INTJ
dti-1366	175	3	negative	negative	ADJ
dti-1366	175	4	for	for	ADP
dti-1366	175	5	nongenotoxic	nongenotoxic	ADJ
dti-1366	175	6	carcinogenicity	carcinogenicity	NOUN
dti-1366	176	1	yes	yes	INTJ
dti-1366	177	1	yes	yes	INTJ
dti-1366	178	1	yes	yes	INTJ
dti-1366	179	1	yes	yes	INTJ
dti-1366	180	1	yes	yes	INTJ
dti-1366	180	2	yes	yes	INTJ
dti-1366	180	3	potential	potential	ADJ
dti-1366	180	4	salmonella	salmonella	NOUN
dti-1366	180	5	typhimurium	typhimurium	NOUN
dti-1366	180	6	ta100	ta100	PROPN
dti-1366	180	7	mutagen	mutagen	NOUN
dti-1366	180	8	based	base	VERB
dti-1366	180	9	on	on	ADP
dti-1366	180	10	qsar	qsar	NOUN
dti-1366	181	1	no	no	INTJ
dti-1366	181	2	no	no	INTJ
dti-1366	181	3	no	no	INTJ
dti-1366	181	4	no	no	INTJ
dti-1366	181	5	no	no	INTJ
dti-1366	181	6	no	no	DET
dti-1366	181	7	potential	potential	ADJ
dti-1366	181	8	carcinogen	carcinogen	NOUN
dti-1366	181	9	based	base	VERB
dti-1366	181	10	on	on	ADP
dti-1366	181	11	qsar	qsar	NOUN
dti-1366	182	1	no	no	INTJ
dti-1366	182	2	no	no	INTJ
dti-1366	182	3	no	no	INTJ
dti-1366	182	4	no	no	INTJ
dti-1366	182	5	no	no	INTJ
dti-1366	182	6	no	no	DET
dti-1366	182	7	abbreviations	abbreviation	NOUN
dti-1366	182	8	:	:	PUNCT
dti-1366	182	9	sah	sah	NOUN
dti-1366	182	10	,	,	PUNCT
dti-1366	182	11	s	s	NOUN
dti-1366	182	12	-	-	PUNCT
dti-1366	182	13	adenosyl	adenosyl	ADJ
dti-1366	182	14	-	-	PUNCT
dti-1366	182	15	l	l	NOUN
dti-1366	182	16	-	-	NOUN
dti-1366	182	17	homocysteine	homocysteine	NOUN
dti-1366	182	18	;	;	PUNCT
dti-1366	182	19	sam	sam	PROPN
dti-1366	182	20	,	,	PUNCT
dti-1366	182	21	s	s	NOUN
dti-1366	182	22	-	-	PUNCT
dti-1366	182	23	adenosylmethionine	adenosylmethionine	NOUN
dti-1366	182	24	;	;	PUNCT
dti-1366	182	25	qsar	qsar	NOUN
dti-1366	182	26	,	,	PUNCT
dti-1366	182	27	quantitative	quantitative	ADJ
dti-1366	182	28	structure	structure	NOUN
dti-1366	182	29	activity	activity	NOUN
dti-1366	182	30	relationship	relationship	NOUN
dti-1366	182	31	.	.	PUNCT
dti-1366	183	1	astandard	astandard	PROPN
dti-1366	183	2	ligand	ligand	NOUN
dti-1366	183	3	.	.	PUNCT
dti-1366	184	1	http://www.organic-chemistry.org	http://www.organic-chemistry.org	PROPN
dti-1366	184	2	10	10	NUM
dti-1366	184	3	drug	drug	NOUN
dti-1366	184	4	target	target	NOUN
dti-1366	184	5	insights	insight	NOUN
dti-1366	184	6	••	••	NOUN
dti-1366	184	7	has	have	VERB
dti-1366	184	8	less	less	ADJ
dti-1366	184	9	than	than	ADP
dti-1366	184	10	5	5	NUM
dti-1366	184	11	hydrogen	hydrogen	NOUN
dti-1366	184	12	bond	bond	NOUN
dti-1366	184	13	donors	donor	NOUN
dti-1366	184	14	;	;	PUNCT
dti-1366	184	15	••	••	NOUN
dti-1366	184	16	has	have	VERB
dti-1366	184	17	no	no	DET
dti-1366	184	18	more	more	ADJ
dti-1366	184	19	than	than	ADP
dti-1366	184	20	10	10	NUM
dti-1366	184	21	hydrogen	hydrogen	NOUN
dti-1366	184	22	bond	bond	NOUN
dti-1366	184	23	acceptors	acceptor	NOUN
dti-1366	184	24	.	.	PUNCT
dti-1366	185	1	furthermore	furthermore	ADV
dti-1366	185	2	,	,	PUNCT
dti-1366	185	3	the	the	DET
dti-1366	185	4	determination	determination	NOUN
dti-1366	185	5	of	of	ADP
dti-1366	185	6	drug	drug	NOUN
dti-1366	185	7	score	score	NOUN
dti-1366	185	8	parameter	parameter	NOUN
dti-1366	185	9	in	in	ADP
dti-1366	185	10	the	the	DET
dti-1366	185	11	osiris	osiris	PROPN
dti-1366	185	12	property	property	NOUN
dti-1366	185	13	explorer	explorer	NOUN
dti-1366	185	14	is	be	AUX
dti-1366	185	15	based	base	VERB
dti-1366	185	16	on	on	ADP
dti-1366	185	17	the	the	DET
dti-1366	185	18	calculation	calculation	NOUN
dti-1366	185	19	of	of	ADP
dti-1366	185	20	the	the	DET
dti-1366	185	21	lipinski	lipinski	PROPN
dti-1366	185	22	rule	rule	NOUN
dti-1366	185	23	of	of	ADP
dti-1366	185	24	five	five	NUM
dti-1366	185	25	,	,	PUNCT
dti-1366	185	26	the	the	DET
dti-1366	185	27	veber	veber	PROPN
dti-1366	185	28	rule	rule	NOUN
dti-1366	185	29	,	,	PUNCT
dti-1366	185	30	and	and	CCONJ
dti-1366	185	31	the	the	DET
dti-1366	185	32	mutagenic	mutagenic	ADJ
dti-1366	185	33	,	,	PUNCT
dti-1366	185	34	tumorigenic	tumorigenic	NOUN
dti-1366	185	35	,	,	PUNCT
dti-1366	185	36	irritant	irritant	ADJ
dti-1366	185	37	,	,	PUNCT
dti-1366	185	38	and	and	CCONJ
dti-1366	185	39	reproductive	reproductive	ADJ
dti-1366	185	40	effect	effect	NOUN
dti-1366	185	41	probabilities.60,65	probabilities.60,65	NOUN
dti-1366	185	42	the	the	DET
dti-1366	185	43	result	result	NOUN
dti-1366	185	44	of	of	ADP
dti-1366	185	45	this	this	DET
dti-1366	185	46	analysis	analysis	NOUN
dti-1366	185	47	is	be	AUX
dti-1366	185	48	shown	show	VERB
dti-1366	185	49	in	in	ADP
dti-1366	185	50	table	table	NOUN
dti-1366	185	51	5	5	NUM
dti-1366	185	52	.	.	PUNCT
dti-1366	186	1	the	the	DET
dti-1366	186	2	analysis	analysis	NOUN
dti-1366	186	3	shown	show	VERB
dti-1366	186	4	in	in	ADP
dti-1366	186	5	table	table	NOUN
dti-1366	186	6	5	5	NUM
dti-1366	186	7	indicates	indicate	VERB
dti-1366	186	8	that	that	SCONJ
dti-1366	186	9	the	the	DET
dti-1366	186	10	standard	standard	ADJ
dti-1366	186	11	ligands	ligand	NOUN
dti-1366	186	12	have	have	VERB
dti-1366	186	13	good	good	ADJ
dti-1366	186	14	drug	drug	NOUN
dti-1366	186	15	results	result	NOUN
dti-1366	186	16	,	,	PUNCT
dti-1366	186	17	such	such	ADJ
dti-1366	186	18	as	as	ADP
dti-1366	186	19	no	no	DET
dti-1366	186	20	risk	risk	NOUN
dti-1366	186	21	of	of	ADP
dti-1366	186	22	being	be	AUX
dti-1366	186	23	mutagenic	mutagenic	ADJ
dti-1366	186	24	,	,	PUNCT
dti-1366	186	25	tumorigenic	tumorigenic	NOUN
dti-1366	186	26	,	,	PUNCT
dti-1366	186	27	and	and	CCONJ
dti-1366	186	28	other	other	ADJ
dti-1366	186	29	health	health	NOUN
dti-1366	186	30	effects	effect	NOUN
dti-1366	186	31	,	,	PUNCT
dti-1366	186	32	although	although	SCONJ
dti-1366	186	33	the	the	DET
dti-1366	186	34	druglikeness	druglikeness	NOUN
dti-1366	186	35	and	and	CCONJ
dti-1366	186	36	the	the	DET
dti-1366	186	37	drug	drug	NOUN
dti-1366	186	38	score	score	NOUN
dti-1366	186	39	of	of	ADP
dti-1366	186	40	the	the	DET
dti-1366	186	41	standard	standard	ADJ
dti-1366	186	42	ligands	ligand	NOUN
dti-1366	186	43	showed	show	VERB
dti-1366	186	44	poor	poor	ADJ
dti-1366	186	45	results	result	NOUN
dti-1366	186	46	.	.	PUNCT
dti-1366	187	1	furthermore	furthermore	ADV
dti-1366	187	2	,	,	PUNCT
dti-1366	187	3	sah	sah	NOUN
dti-1366	187	4	-	-	PUNCT
dti-1366	187	5	m2696	m2696	PROPN
dti-1366	187	6	and	and	CCONJ
dti-1366	187	7	sah	sah	NOUN
dti-1366	187	8	-	-	PUNCT
dti-1366	187	9	m1356	m1356	NOUN
dti-1366	187	10	ligands	ligand	NOUN
dti-1366	187	11	had	have	VERB
dti-1366	187	12	no	no	DET
dti-1366	187	13	mutagenic	mutagenic	ADJ
dti-1366	187	14	,	,	PUNCT
dti-1366	187	15	tumorigenic	tumorigenic	NOUN
dti-1366	187	16	,	,	PUNCT
dti-1366	187	17	irritant	irritant	ADJ
dti-1366	187	18	,	,	PUNCT
dti-1366	187	19	and	and	CCONJ
dti-1366	187	20	reproductive	reproductive	ADJ
dti-1366	187	21	effect	effect	NOUN
dti-1366	187	22	,	,	PUNCT
dti-1366	187	23	although	although	SCONJ
dti-1366	187	24	the	the	DET
dti-1366	187	25	former	former	ADJ
dti-1366	187	26	ligand	ligand	NOUN
dti-1366	187	27	has	have	VERB
dti-1366	187	28	a	a	DET
dti-1366	187	29	good	good	ADJ
dti-1366	187	30	value	value	NOUN
dti-1366	187	31	of	of	ADP
dti-1366	187	32	druglikeness	druglikeness	NOUN
dti-1366	187	33	and	and	CCONJ
dti-1366	187	34	drug	drug	NOUN
dti-1366	187	35	score	score	NOUN
dti-1366	187	36	than	than	ADP
dti-1366	187	37	the	the	DET
dti-1366	187	38	latter	latter	ADJ
dti-1366	187	39	.	.	PUNCT
dti-1366	188	1	the	the	DET
dti-1366	188	2	sah	sah	PROPN
dti-1366	188	3	-	-	PUNCT
dti-1366	188	4	m331	m331	PROPN
dti-1366	188	5	,	,	PUNCT
dti-1366	188	6	however	however	ADV
dti-1366	188	7	,	,	PUNCT
dti-1366	188	8	reveals	reveal	VERB
dti-1366	188	9	to	to	PART
dti-1366	188	10	be	be	AUX
dti-1366	188	11	an	an	DET
dti-1366	188	12	irritant	irritant	NOUN
dti-1366	188	13	,	,	PUNCT
dti-1366	188	14	thus	thus	ADV
dti-1366	188	15	decreasing	decrease	VERB
dti-1366	188	16	its	its	PRON
dti-1366	188	17	druglikeness	druglikeness	NOUN
dti-1366	188	18	and	and	CCONJ
dti-1366	188	19	drug	drug	NOUN
dti-1366	188	20	score	score	NOUN
dti-1366	188	21	.	.	PUNCT
dti-1366	189	1	synthetic	synthetic	ADJ
dti-1366	189	2	accessibility	accessibility	NOUN
dti-1366	189	3	prediction	prediction	NOUN
dti-1366	189	4	.	.	PUNCT
dti-1366	190	1	the	the	DET
dti-1366	190	2	synthetic	synthetic	ADJ
dti-1366	190	3	accessibility	accessibility	NOUN
dti-1366	190	4	prediction	prediction	NOUN
dti-1366	190	5	is	be	AUX
dti-1366	190	6	used	use	VERB
dti-1366	190	7	to	to	PART
dti-1366	190	8	analyze	analyze	VERB
dti-1366	190	9	whether	whether	SCONJ
dti-1366	190	10	any	any	DET
dti-1366	190	11	modification	modification	NOUN
dti-1366	190	12	of	of	ADP
dti-1366	190	13	a	a	DET
dti-1366	190	14	compound	compound	NOUN
dti-1366	190	15	can	can	AUX
dti-1366	190	16	be	be	AUX
dti-1366	190	17	synthesized	synthesize	VERB
dti-1366	190	18	in	in	ADP
dti-1366	190	19	a	a	DET
dti-1366	190	20	wet	wet	ADJ
dti-1366	190	21	lab	lab	NOUN
dti-1366	190	22	or	or	CCONJ
dti-1366	190	23	not	not	PART
dti-1366	190	24	.	.	PUNCT
dti-1366	191	1	this	this	DET
dti-1366	191	2	prediction	prediction	NOUN
dti-1366	191	3	can	can	AUX
dti-1366	191	4	be	be	AUX
dti-1366	191	5	made	make	VERB
dti-1366	191	6	using	use	VERB
dti-1366	191	7	several	several	ADJ
dti-1366	191	8	kinds	kind	NOUN
dti-1366	191	9	of	of	ADP
dti-1366	191	10	software	software	NOUN
dti-1366	191	11	.	.	PUNCT
dti-1366	192	1	in	in	ADP
dti-1366	192	2	this	this	DET
dti-1366	192	3	study	study	NOUN
dti-1366	192	4	,	,	PUNCT
dti-1366	192	5	we	we	PRON
dti-1366	192	6	used	use	VERB
dti-1366	192	7	caesa	caesa	NOUN
dti-1366	192	8	software	software	NOUN
dti-1366	192	9	to	to	PART
dti-1366	192	10	analyze	analyze	VERB
dti-1366	192	11	the	the	DET
dti-1366	192	12	synthetic	synthetic	ADJ
dti-1366	192	13	accessibility	accessibility	NOUN
dti-1366	192	14	,	,	PUNCT
dti-1366	192	15	residual	residual	ADJ
dti-1366	192	16	complexity	complexity	NOUN
dti-1366	192	17	,	,	PUNCT
dti-1366	192	18	and	and	CCONJ
dti-1366	192	19	starting	start	VERB
dti-1366	192	20	material	material	NOUN
dti-1366	192	21	of	of	ADP
dti-1366	192	22	a	a	DET
dti-1366	192	23	compound	compound	NOUN
dti-1366	192	24	based	base	VERB
dti-1366	192	25	on	on	ADP
dti-1366	192	26	databases	database	NOUN
dti-1366	192	27	such	such	ADJ
dti-1366	192	28	as	as	ADP
dti-1366	192	29	acros	acro	NOUN
dti-1366	192	30	,	,	PUNCT
dti-1366	192	31	sigma	sigma	PROPN
dti-1366	192	32	-	-	PUNCT
dti-1366	192	33	aldrich	aldrich	NOUN
dti-1366	192	34	,	,	PUNCT
dti-1366	192	35	and	and	CCONJ
dti-1366	192	36	lancaster	lancaster	PROPN
dti-1366	192	37	.	.	PUNCT
dti-1366	193	1	the	the	DET
dti-1366	193	2	result	result	NOUN
dti-1366	193	3	of	of	ADP
dti-1366	193	4	the	the	DET
dti-1366	193	5	analysis	analysis	NOUN
dti-1366	193	6	can	can	AUX
dti-1366	193	7	be	be	AUX
dti-1366	193	8	shown	show	VERB
dti-1366	193	9	as	as	ADP
dti-1366	193	10	a	a	DET
dti-1366	193	11	percentage	percentage	NOUN
dti-1366	193	12	;	;	PUNCT
dti-1366	193	13	the	the	PRON
dti-1366	193	14	greater	great	ADJ
dti-1366	193	15	the	the	DET
dti-1366	193	16	percentage	percentage	NOUN
dti-1366	193	17	,	,	PUNCT
dti-1366	193	18	the	the	PRON
dti-1366	193	19	bigger	big	ADJ
dti-1366	193	20	the	the	DET
dti-1366	193	21	chances	chance	NOUN
dti-1366	193	22	for	for	SCONJ
dti-1366	193	23	the	the	DET
dti-1366	193	24	compound	compound	NOUN
dti-1366	193	25	to	to	PART
dti-1366	193	26	be	be	AUX
dti-1366	193	27	synthesized	synthesize	VERB
dti-1366	193	28	.	.	PUNCT
dti-1366	194	1	the	the	DET
dti-1366	194	2	result	result	NOUN
dti-1366	194	3	of	of	ADP
dti-1366	194	4	synthetic	synthetic	ADJ
dti-1366	194	5	accessibility	accessibility	NOUN
dti-1366	194	6	prediction	prediction	NOUN
dti-1366	194	7	is	be	AUX
dti-1366	194	8	shown	show	VERB
dti-1366	194	9	in	in	ADP
dti-1366	194	10	table	table	NOUN
dti-1366	194	11	6	6	NUM
dti-1366	194	12	.	.	PUNCT
dti-1366	195	1	the	the	DET
dti-1366	195	2	above	above	ADJ
dti-1366	195	3	data	datum	NOUN
dti-1366	195	4	indicate	indicate	VERB
dti-1366	195	5	that	that	SCONJ
dti-1366	195	6	the	the	DET
dti-1366	195	7	sah	sah	PROPN
dti-1366	195	8	-	-	PUNCT
dti-1366	195	9	m2696	m2696	PROPN
dti-1366	195	10	ligand	ligand	NOUN
dti-1366	195	11	has	have	VERB
dti-1366	195	12	the	the	DET
dti-1366	195	13	highest	high	ADJ
dti-1366	195	14	possibility	possibility	NOUN
dti-1366	195	15	to	to	PART
dti-1366	195	16	be	be	AUX
dti-1366	195	17	synthesized	synthesize	VERB
dti-1366	195	18	rather	rather	ADV
dti-1366	195	19	than	than	ADP
dti-1366	195	20	other	other	ADJ
dti-1366	195	21	ligands	ligand	NOUN
dti-1366	195	22	;	;	PUNCT
dti-1366	195	23	this	this	PRON
dti-1366	195	24	is	be	AUX
dti-1366	195	25	because	because	SCONJ
dti-1366	195	26	it	it	PRON
dti-1366	195	27	has	have	VERB
dti-1366	195	28	the	the	DET
dti-1366	195	29	highest	high	ADJ
dti-1366	195	30	percentage	percentage	NOUN
dti-1366	195	31	(	(	PUNCT
dti-1366	195	32	at	at	ADP
dti-1366	195	33	58	58	NUM
dti-1366	195	34	%	%	NOUN
dti-1366	195	35	)	)	PUNCT
dti-1366	195	36	in	in	ADP
dti-1366	195	37	synthetic	synthetic	ADJ
dti-1366	195	38	accessibility	accessibility	NOUN
dti-1366	195	39	,	,	PUNCT
dti-1366	195	40	far	far	ADV
dti-1366	195	41	greater	great	ADJ
dti-1366	195	42	than	than	ADP
dti-1366	195	43	sah	sah	NOUN
dti-1366	195	44	-	-	PUNCT
dti-1366	195	45	m331	m331	PROPN
dti-1366	195	46	and	and	CCONJ
dti-1366	195	47	sahm1356	sahm1356	NOUN
dti-1366	195	48	(	(	PUNCT
dti-1366	195	49	at	at	ADP
dti-1366	195	50	38	38	NUM
dti-1366	195	51	%	%	NOUN
dti-1366	195	52	and	and	CCONJ
dti-1366	195	53	42	42	NUM
dti-1366	195	54	%	%	NOUN
dti-1366	195	55	,	,	PUNCT
dti-1366	195	56	respectively	respectively	ADV
dti-1366	195	57	)	)	PUNCT
dti-1366	195	58	.	.	PUNCT
dti-1366	196	1	molecular	molecular	ADJ
dti-1366	196	2	dynamics	dynamic	NOUN
dti-1366	196	3	simulation	simulation	NOUN
dti-1366	196	4	of	of	ADP
dti-1366	196	5	ns5	ns5	NOUN
dti-1366	196	6	methyltransferase	methyltransferase	NOUN
dti-1366	196	7	enzyme	enzyme	NOUN
dti-1366	196	8	and	and	CCONJ
dti-1366	196	9	sah	sah	NOUN
dti-1366	196	10	-	-	PUNCT
dti-1366	196	11	based	base	VERB
dti-1366	196	12	ligands	ligand	NOUN
dti-1366	196	13	molecular	molecular	ADJ
dti-1366	196	14	dynamics	dynamic	NOUN
dti-1366	196	15	simulation	simulation	NOUN
dti-1366	196	16	is	be	AUX
dti-1366	196	17	used	use	VERB
dti-1366	196	18	to	to	PART
dti-1366	196	19	predict	predict	VERB
dti-1366	196	20	the	the	DET
dti-1366	196	21	stability	stability	NOUN
dti-1366	196	22	,	,	PUNCT
dti-1366	196	23	movement	movement	NOUN
dti-1366	196	24	,	,	PUNCT
dti-1366	196	25	and	and	CCONJ
dti-1366	196	26	conformation	conformation	NOUN
dti-1366	196	27	of	of	ADP
dti-1366	196	28	protein	protein	NOUN
dti-1366	196	29	-	-	PUNCT
dti-1366	196	30	ligand	ligand	NOUN
dti-1366	196	31	complex	complex	NOUN
dti-1366	196	32	that	that	PRON
dti-1366	196	33	is	be	AUX
dti-1366	196	34	observed	observe	VERB
dti-1366	196	35	over	over	ADP
dti-1366	196	36	comparable	comparable	ADJ
dti-1366	196	37	time	time	NOUN
dti-1366	196	38	periods.66	periods.66	NOUN
dti-1366	196	39	thus	thus	ADV
dti-1366	196	40	,	,	PUNCT
dti-1366	196	41	this	this	DET
dti-1366	196	42	simulation	simulation	NOUN
dti-1366	196	43	allows	allow	VERB
dti-1366	196	44	the	the	DET
dti-1366	196	45	enzyme	enzyme	NOUN
dti-1366	196	46	-	-	PUNCT
dti-1366	196	47	ligand	ligand	NOUN
dti-1366	196	48	complex	complex	NOUN
dti-1366	196	49	to	to	PART
dti-1366	196	50	apply	apply	VERB
dti-1366	196	51	the	the	DET
dti-1366	196	52	induced	induced	ADJ
dti-1366	196	53	-	-	PUNCT
dti-1366	196	54	fit	fit	NOUN
dti-1366	196	55	model	model	NOUN
dti-1366	196	56	and	and	CCONJ
dti-1366	196	57	makes	make	VERB
dti-1366	196	58	it	it	PRON
dti-1366	196	59	more	more	ADV
dti-1366	196	60	accurate	accurate	ADJ
dti-1366	196	61	and	and	CCONJ
dti-1366	196	62	reliable	reliable	ADJ
dti-1366	196	63	than	than	ADP
dti-1366	196	64	the	the	DET
dti-1366	196	65	docking	dock	VERB
dti-1366	196	66	simulation.25	simulation.25	NOUN
dti-1366	196	67	in	in	ADP
dti-1366	196	68	this	this	DET
dti-1366	196	69	study	study	NOUN
dti-1366	196	70	,	,	PUNCT
dti-1366	196	71	the	the	DET
dti-1366	196	72	molecular	molecular	ADJ
dti-1366	196	73	dynamics	dynamic	NOUN
dti-1366	196	74	simulation	simulation	NOUN
dti-1366	196	75	was	be	AUX
dti-1366	196	76	done	do	VERB
dti-1366	196	77	using	use	VERB
dti-1366	196	78	moe	moe	NOUN
dti-1366	196	79	2008.10	2008.10	NUM
dti-1366	196	80	software	software	NOUN
dti-1366	196	81	.	.	PUNCT
dti-1366	197	1	the	the	DET
dti-1366	197	2	npa	npa	PROPN
dti-1366	197	3	algorithm	algorithm	NOUN
dti-1366	197	4	was	be	AUX
dti-1366	197	5	applied	apply	VERB
dti-1366	197	6	in	in	ADP
dti-1366	197	7	this	this	DET
dti-1366	197	8	simulation	simulation	NOUN
dti-1366	197	9	,	,	PUNCT
dti-1366	197	10	with	with	ADP
dti-1366	197	11	the	the	DET
dti-1366	197	12	amber94	amber94	NOUN
dti-1366	197	13	force	force	NOUN
dti-1366	197	14	field	field	NOUN
dti-1366	197	15	,	,	PUNCT
dti-1366	197	16	nvt	nvt	PROPN
dti-1366	197	17	canonical	canonical	NOUN
dti-1366	197	18	ensemble	ensemble	ADJ
dti-1366	197	19	,	,	PUNCT
dti-1366	197	20	at	at	ADP
dti-1366	197	21	a	a	DET
dti-1366	197	22	temperature	temperature	NOUN
dti-1366	197	23	of	of	ADP
dti-1366	197	24	310	310	NUM
dti-1366	197	25	and	and	CCONJ
dti-1366	197	26	312	312	NUM
dti-1366	197	27	k.	k.	NOUN
dti-1366	197	28	furthermore	furthermore	ADV
dti-1366	197	29	,	,	PUNCT
dti-1366	197	30	this	this	DET
dti-1366	197	31	simulation	simulation	NOUN
dti-1366	197	32	was	be	AUX
dti-1366	197	33	completely	completely	ADV
dti-1366	197	34	done	do	VERB
dti-1366	197	35	using	use	VERB
dti-1366	197	36	implicit	implicit	ADJ
dti-1366	197	37	solvent	solvent	NOUN
dti-1366	197	38	models	model	NOUN
dti-1366	197	39	.	.	PUNCT
dti-1366	198	1	in	in	ADP
dti-1366	198	2	general	general	ADJ
dti-1366	198	3	,	,	PUNCT
dti-1366	198	4	this	this	DET
dti-1366	198	5	simulation	simulation	NOUN
dti-1366	198	6	can	can	AUX
dti-1366	198	7	be	be	AUX
dti-1366	198	8	divided	divide	VERB
dti-1366	198	9	into	into	ADP
dti-1366	198	10	3	3	NUM
dti-1366	198	11	main	main	ADJ
dti-1366	198	12	phases	phase	NOUN
dti-1366	198	13	:	:	PUNCT
dti-1366	198	14	initialization	initialization	NOUN
dti-1366	198	15	,	,	PUNCT
dti-1366	198	16	equilibration	equilibration	NOUN
dti-1366	198	17	,	,	PUNCT
dti-1366	198	18	and	and	CCONJ
dti-1366	198	19	production	production	NOUN
dti-1366	198	20	.	.	PUNCT
dti-1366	199	1	first	first	ADV
dti-1366	199	2	,	,	PUNCT
dti-1366	199	3	the	the	DET
dti-1366	199	4	initialization	initialization	NOUN
dti-1366	199	5	stage	stage	NOUN
dti-1366	199	6	was	be	AUX
dti-1366	199	7	conducted	conduct	VERB
dti-1366	199	8	to	to	PART
dti-1366	199	9	determine	determine	VERB
dti-1366	199	10	the	the	DET
dti-1366	199	11	state	state	NOUN
dti-1366	199	12	of	of	ADP
dti-1366	199	13	the	the	DET
dti-1366	199	14	system	system	NOUN
dti-1366	199	15	,	,	PUNCT
dti-1366	199	16	such	such	ADJ
dti-1366	199	17	as	as	ADP
dti-1366	199	18	atomic	atomic	ADJ
dti-1366	199	19	coordinates	coordinate	NOUN
dti-1366	199	20	,	,	PUNCT
dti-1366	199	21	velocity	velocity	NOUN
dti-1366	199	22	,	,	PUNCT
dti-1366	199	23	and	and	CCONJ
dti-1366	199	24	potential	potential	ADJ
dti-1366	199	25	energy	energy	NOUN
dti-1366	199	26	.	.	PUNCT
dti-1366	200	1	then	then	ADV
dti-1366	200	2	,	,	PUNCT
dti-1366	200	3	the	the	DET
dti-1366	200	4	equilibration	equilibration	NOUN
dti-1366	200	5	stage	stage	NOUN
dti-1366	200	6	was	be	AUX
dti-1366	200	7	conducted	conduct	VERB
dti-1366	200	8	to	to	PART
dti-1366	200	9	provide	provide	VERB
dti-1366	200	10	a	a	DET
dti-1366	200	11	relaxed	relaxed	ADJ
dti-1366	200	12	state	state	NOUN
dti-1366	200	13	on	on	ADP
dti-1366	200	14	the	the	DET
dti-1366	200	15	complex	complex	NOUN
dti-1366	200	16	as	as	ADP
dti-1366	200	17	a	a	DET
dti-1366	200	18	result	result	NOUN
dti-1366	200	19	of	of	ADP
dti-1366	200	20	restraint	restraint	NOUN
dti-1366	200	21	when	when	SCONJ
dti-1366	200	22	the	the	DET
dti-1366	200	23	system	system	NOUN
dti-1366	200	24	is	be	AUX
dti-1366	200	25	heated.58	heated.58	NOUN
dti-1366	200	26	finally	finally	ADV
dti-1366	200	27	,	,	PUNCT
dti-1366	200	28	the	the	DET
dti-1366	200	29	production	production	NOUN
dti-1366	200	30	stage	stage	NOUN
dti-1366	200	31	was	be	AUX
dti-1366	200	32	done	do	VERB
dti-1366	200	33	to	to	PART
dti-1366	200	34	generate	generate	VERB
dti-1366	200	35	a	a	DET
dti-1366	200	36	trajectory	trajectory	NOUN
dti-1366	200	37	of	of	ADP
dti-1366	200	38	a	a	DET
dti-1366	200	39	simulation	simulation	NOUN
dti-1366	200	40	that	that	PRON
dti-1366	200	41	showed	show	VERB
dti-1366	200	42	the	the	DET
dti-1366	200	43	conformation	conformation	NOUN
dti-1366	200	44	changes	change	NOUN
dti-1366	200	45	of	of	ADP
dti-1366	200	46	the	the	DET
dti-1366	200	47	complex	complex	NOUN
dti-1366	200	48	in	in	ADP
dti-1366	200	49	forms	form	NOUN
dti-1366	200	50	of	of	ADP
dti-1366	200	51	atom	atom	NOUN
dti-1366	200	52	coordinates	coordinate	NOUN
dti-1366	200	53	in	in	ADP
dti-1366	200	54	the	the	DET
dti-1366	200	55	simulation	simulation	NOUN
dti-1366	200	56	period.67	period.67	VERB
dti-1366	200	57	the	the	DET
dti-1366	200	58	production	production	NOUN
dti-1366	200	59	stage	stage	NOUN
dti-1366	200	60	in	in	ADP
dti-1366	200	61	this	this	DET
dti-1366	200	62	study	study	NOUN
dti-1366	200	63	was	be	AUX
dti-1366	200	64	table	table	NOUN
dti-1366	200	65	5	5	NUM
dti-1366	200	66	.	.	PUNCT
dti-1366	200	67	druglikeness	druglikeness	NOUN
dti-1366	200	68	property	property	NOUN
dti-1366	200	69	prediction	prediction	NOUN
dti-1366	200	70	by	by	ADP
dti-1366	200	71	osiris	osiris	PROPN
dti-1366	200	72	property	property	NOUN
dti-1366	200	73	explorer	explorer	PROPN
dti-1366	200	74	software	software	NOUN
dti-1366	200	75	.	.	PUNCT
dti-1366	201	1	parameters	parameter	NOUN
dti-1366	201	2	/	/	SYM
dti-1366	201	3	ligands	ligand	NOUN
dti-1366	201	4	sah	sah	PROPN
dti-1366	201	5	-	-	PUNCT
dti-1366	201	6	m331	m331	PROPN
dti-1366	201	7	sah	sah	PROPN
dti-1366	201	8	-	-	PUNCT
dti-1366	201	9	m2696	m2696	NOUN
dti-1366	201	10	sah	sah	NOUN
dti-1366	201	11	-	-	PUNCT
dti-1366	201	12	m1356	m1356	PROPN
dti-1366	201	13	saha	saha	PROPN
dti-1366	201	14	sama	sama	PROPN
dti-1366	201	15	ctwyca	ctwyca	PROPN
dti-1366	201	16	mutagenic	mutagenic	NOUN
dti-1366	202	1	no	no	INTJ
dti-1366	202	2	no	no	INTJ
dti-1366	202	3	no	no	INTJ
dti-1366	202	4	no	no	INTJ
dti-1366	202	5	no	no	INTJ
dti-1366	202	6	no	no	DET
dti-1366	202	7	tumorigenic	tumorigenic	NOUN
dti-1366	202	8	no	no	INTJ
dti-1366	203	1	no	no	INTJ
dti-1366	203	2	no	no	INTJ
dti-1366	203	3	no	no	INTJ
dti-1366	203	4	no	no	INTJ
dti-1366	203	5	no	no	INTJ
dti-1366	203	6	irritant	irritant	ADJ
dti-1366	203	7	low	low	ADJ
dti-1366	204	1	no	no	INTJ
dti-1366	204	2	no	no	INTJ
dti-1366	204	3	no	no	INTJ
dti-1366	204	4	no	no	INTJ
dti-1366	204	5	no	no	DET
dti-1366	204	6	reproductive	reproductive	ADJ
dti-1366	204	7	effect	effect	NOUN
dti-1366	205	1	no	no	INTJ
dti-1366	205	2	no	no	INTJ
dti-1366	205	3	no	no	INTJ
dti-1366	205	4	no	no	INTJ
dti-1366	205	5	no	no	INTJ
dti-1366	205	6	no	no	DET
dti-1366	205	7	druglikeness	druglikeness	NOUN
dti-1366	205	8	−1.12	−1.12	NOUN
dti-1366	205	9	0.89	0.89	NUM
dti-1366	206	1	−4.91	−4.91	NOUN
dti-1366	207	1	−7.18	−7.18	PUNCT
dti-1366	207	2	−7.41	−7.41	NOUN
dti-1366	208	1	−1.8	−1.8	PROPN
dti-1366	208	2	drug	drug	NOUN
dti-1366	208	3	score	score	NOUN
dti-1366	208	4	0.42	0.42	NUM
dti-1366	208	5	0.74	0.74	NUM
dti-1366	208	6	0.42	0.42	NUM
dti-1366	208	7	0.43	0.43	NUM
dti-1366	208	8	0.41	0.41	NUM
dti-1366	208	9	0.27	0.27	NUM
dti-1366	208	10	abbreviations	abbreviation	NOUN
dti-1366	208	11	:	:	PUNCT
dti-1366	209	1	sah	sah	NOUN
dti-1366	209	2	,	,	PUNCT
dti-1366	209	3	s	s	NOUN
dti-1366	209	4	-	-	PUNCT
dti-1366	209	5	adenosyl	adenosyl	ADJ
dti-1366	209	6	-	-	PUNCT
dti-1366	209	7	l	l	NOUN
dti-1366	209	8	-	-	NOUN
dti-1366	209	9	homocysteine	homocysteine	NOUN
dti-1366	209	10	;	;	PUNCT
dti-1366	209	11	sam	sam	PROPN
dti-1366	209	12	,	,	PUNCT
dti-1366	209	13	s	s	NOUN
dti-1366	209	14	-	-	PUNCT
dti-1366	209	15	adenosylmethionine	adenosylmethionine	NOUN
dti-1366	209	16	.	.	PUNCT
dti-1366	210	1	astandard	astandard	PROPN
dti-1366	210	2	ligand	ligand	PROPN
dti-1366	210	3	.	.	PUNCT
dti-1366	211	1	red	red	ADJ
dti-1366	211	2	color	color	NOUN
dti-1366	211	3	indicates	indicate	VERB
dti-1366	211	4	the	the	DET
dti-1366	211	5	unfavorable	unfavorable	ADJ
dti-1366	211	6	drug	drug	NOUN
dti-1366	211	7	properties	property	NOUN
dti-1366	211	8	of	of	ADP
dti-1366	211	9	a	a	DET
dti-1366	211	10	compound	compound	NOUN
dti-1366	211	11	.	.	PUNCT
dti-1366	212	1	table	table	NOUN
dti-1366	212	2	6	6	NUM
dti-1366	212	3	.	.	PUNCT
dti-1366	213	1	synthetic	synthetic	ADJ
dti-1366	213	2	accessibility	accessibility	NOUN
dti-1366	213	3	prediction	prediction	NOUN
dti-1366	213	4	of	of	ADP
dti-1366	213	5	the	the	DET
dti-1366	213	6	selected	select	VERB
dti-1366	213	7	ligands	ligand	NOUN
dti-1366	213	8	.	.	PUNCT
dti-1366	214	1	parameters	parameter	NOUN
dti-1366	214	2	/	/	SYM
dti-1366	214	3	ligands	ligand	NOUN
dti-1366	214	4	sah	sah	PROPN
dti-1366	214	5	-	-	PUNCT
dti-1366	214	6	m331	m331	PROPN
dti-1366	214	7	sah	sah	PROPN
dti-1366	214	8	-	-	PUNCT
dti-1366	214	9	m2696	m2696	NOUN
dti-1366	214	10	sah	sah	NOUN
dti-1366	214	11	-	-	PUNCT
dti-1366	214	12	m1356	m1356	NOUN
dti-1366	214	13	synthetic	synthetic	ADJ
dti-1366	214	14	accessibility	accessibility	NOUN
dti-1366	214	15	38	38	NUM
dti-1366	214	16	%	%	NOUN
dti-1366	214	17	58	58	NUM
dti-1366	214	18	%	%	NOUN
dti-1366	214	19	42	42	NUM
dti-1366	214	20	%	%	NOUN
dti-1366	214	21	residual	residual	ADJ
dti-1366	214	22	complexity	complexity	NOUN
dti-1366	214	23	56	56	NUM
dti-1366	214	24	%	%	NOUN
dti-1366	214	25	36	36	NUM
dti-1366	214	26	%	%	NOUN
dti-1366	214	27	53	53	NUM
dti-1366	214	28	%	%	NOUN
dti-1366	214	29	starting	start	VERB
dti-1366	214	30	materials	material	NOUN
dti-1366	214	31	3	3	NUM
dti-1366	214	32	%	%	NOUN
dti-1366	214	33	42	42	NUM
dti-1366	214	34	%	%	NOUN
dti-1366	214	35	23	23	NUM
dti-1366	214	36	%	%	NOUN
dti-1366	214	37	abbreviation	abbreviation	NOUN
dti-1366	214	38	:	:	PUNCT
dti-1366	214	39	sah	sah	PROPN
dti-1366	214	40	,	,	PUNCT
dti-1366	214	41	s	s	NOUN
dti-1366	214	42	-	-	PUNCT
dti-1366	214	43	adenosyl	adenosyl	ADJ
dti-1366	214	44	-	-	PUNCT
dti-1366	214	45	l	l	NOUN
dti-1366	214	46	-	-	NOUN
dti-1366	214	47	homocysteine	homocysteine	NOUN
dti-1366	214	48	.	.	PUNCT
dti-1366	215	1	this	this	DET
dti-1366	215	2	test	test	NOUN
dti-1366	215	3	was	be	AUX
dti-1366	215	4	done	do	VERB
dti-1366	215	5	using	use	VERB
dti-1366	215	6	computer	computer	NOUN
dti-1366	215	7	-	-	PUNCT
dti-1366	215	8	assisted	assist	VERB
dti-1366	215	9	estimation	estimation	NOUN
dti-1366	215	10	of	of	ADP
dti-1366	215	11	synthetic	synthetic	ADJ
dti-1366	215	12	accessibility	accessibility	NOUN
dti-1366	215	13	software	software	NOUN
dti-1366	215	14	.	.	PUNCT
dti-1366	216	1	tambunan	tambunan	NOUN
dti-1366	216	2	et	et	PROPN
dti-1366	216	3	al	al	PROPN
dti-1366	216	4	11	11	NUM
dti-1366	216	5	conducted	conduct	VERB
dti-1366	216	6	in	in	ADP
dti-1366	216	7	5	5	NUM
dti-1366	216	8	ns	ns	NUM
dti-1366	216	9	.	.	PUNCT
dti-1366	217	1	the	the	DET
dti-1366	217	2	root	root	NOUN
dti-1366	217	3	-	-	PUNCT
dti-1366	217	4	mean	mean	ADJ
dti-1366	217	5	-	-	PUNCT
dti-1366	217	6	square	square	NOUN
dti-1366	217	7	deviation	deviation	NOUN
dti-1366	217	8	(	(	PUNCT
dti-1366	217	9	rmsd	rmsd	NOUN
dti-1366	217	10	)	)	PUNCT
dti-1366	217	11	value	value	NOUN
dti-1366	217	12	and	and	CCONJ
dti-1366	217	13	molecular	molecular	ADJ
dti-1366	217	14	interaction	interaction	NOUN
dti-1366	217	15	of	of	ADP
dti-1366	217	16	the	the	DET
dti-1366	217	17	complex	complex	NOUN
dti-1366	217	18	from	from	ADP
dti-1366	217	19	this	this	DET
dti-1366	217	20	simulation	simulation	NOUN
dti-1366	217	21	should	should	AUX
dti-1366	217	22	be	be	AUX
dti-1366	217	23	checked	check	VERB
dti-1366	217	24	to	to	PART
dti-1366	217	25	determine	determine	VERB
dti-1366	217	26	the	the	DET
dti-1366	217	27	ligand	ligand	NOUN
dti-1366	217	28	-	-	PUNCT
dti-1366	217	29	ns5	ns5	NOUN
dti-1366	217	30	methyltransferase	methyltransferase	NOUN
dti-1366	217	31	enzyme	enzyme	NOUN
dti-1366	217	32	.	.	PUNCT
dti-1366	218	1	the	the	DET
dti-1366	218	2	purpose	purpose	NOUN
dti-1366	218	3	of	of	ADP
dti-1366	218	4	rmsd	rmsd	NOUN
dti-1366	218	5	value	value	NOUN
dti-1366	218	6	is	be	AUX
dti-1366	218	7	to	to	PART
dti-1366	218	8	describe	describe	VERB
dti-1366	218	9	the	the	DET
dti-1366	218	10	conformational	conformational	ADJ
dti-1366	218	11	changes	change	NOUN
dti-1366	218	12	between	between	ADP
dti-1366	218	13	2	2	NUM
dti-1366	218	14	atomic	atomic	ADJ
dti-1366	218	15	coordinates	coordinate	NOUN
dti-1366	218	16	during	during	ADP
dti-1366	218	17	molecular	molecular	ADJ
dti-1366	218	18	dynamics	dynamic	NOUN
dti-1366	218	19	simulation	simulation	NOUN
dti-1366	218	20	.	.	PUNCT
dti-1366	219	1	therefore	therefore	ADV
dti-1366	219	2	,	,	PUNCT
dti-1366	219	3	we	we	PRON
dti-1366	219	4	can	can	AUX
dti-1366	219	5	decide	decide	VERB
dti-1366	219	6	which	which	DET
dti-1366	219	7	ligandenzyme	ligandenzyme	NOUN
dti-1366	219	8	complex	complex	NOUN
dti-1366	219	9	has	have	VERB
dti-1366	219	10	better	well	ADJ
dti-1366	219	11	stability	stability	NOUN
dti-1366	219	12	.	.	PUNCT
dti-1366	220	1	as	as	ADP
dti-1366	220	2	the	the	DET
dti-1366	220	3	temperature	temperature	NOUN
dti-1366	220	4	increases	increase	NOUN
dti-1366	220	5	,	,	PUNCT
dti-1366	220	6	the	the	DET
dti-1366	220	7	molecular	molecular	ADJ
dti-1366	220	8	interaction	interaction	NOUN
dti-1366	220	9	between	between	ADP
dti-1366	220	10	the	the	DET
dti-1366	220	11	enzyme	enzyme	NOUN
dti-1366	220	12	and	and	CCONJ
dti-1366	220	13	the	the	DET
dti-1366	220	14	ligand	ligand	NOUN
dti-1366	220	15	should	should	AUX
dti-1366	220	16	change	change	VERB
dti-1366	220	17	,	,	PUNCT
dti-1366	220	18	but	but	CCONJ
dti-1366	220	19	not	not	PART
dti-1366	220	20	in	in	ADP
dti-1366	220	21	an	an	DET
dti-1366	220	22	insignificant	insignificant	ADJ
dti-1366	220	23	manner	manner	NOUN
dti-1366	220	24	.	.	PUNCT
dti-1366	221	1	hopefully	hopefully	ADV
dti-1366	221	2	,	,	PUNCT
dti-1366	221	3	the	the	DET
dti-1366	221	4	presence	presence	NOUN
dti-1366	221	5	of	of	ADP
dti-1366	221	6	the	the	DET
dti-1366	221	7	modification	modification	NOUN
dti-1366	221	8	of	of	ADP
dti-1366	221	9	sah	sah	PROPN
dti-1366	221	10	ligand	ligand	PROPN
dti-1366	221	11	can	can	AUX
dti-1366	221	12	inhibit	inhibit	VERB
dti-1366	221	13	the	the	DET
dti-1366	221	14	action	action	NOUN
dti-1366	221	15	of	of	ADP
dti-1366	221	16	the	the	DET
dti-1366	221	17	active	active	ADJ
dti-1366	221	18	denv	denv	NOUN
dti-1366	221	19	at	at	ADP
dti-1366	221	20	fever	fever	NOUN
dti-1366	221	21	temperature	temperature	NOUN
dti-1366	221	22	(	(	PUNCT
dti-1366	221	23	around	around	ADP
dti-1366	221	24	39	39	NUM
dti-1366	221	25	°	°	NOUN
dti-1366	221	26	c	c	NOUN
dti-1366	221	27	or	or	CCONJ
dti-1366	221	28	312	312	NUM
dti-1366	221	29	k	k	NOUN
dti-1366	221	30	)	)	PUNCT
dti-1366	221	31	.	.	PUNCT
dti-1366	222	1	as	as	SCONJ
dti-1366	222	2	shown	show	VERB
dti-1366	222	3	in	in	ADP
dti-1366	222	4	figure	figure	NOUN
dti-1366	222	5	6	6	NUM
dti-1366	222	6	,	,	PUNCT
dti-1366	222	7	the	the	DET
dti-1366	222	8	ligand	ligand	NOUN
dti-1366	222	9	sah	sah	NOUN
dti-1366	222	10	-	-	PUNCT
dti-1366	222	11	m1356	m1356	NOUN
dti-1366	222	12	tends	tend	VERB
dti-1366	222	13	to	to	PART
dti-1366	222	14	have	have	VERB
dti-1366	222	15	the	the	DET
dti-1366	222	16	most	most	ADV
dti-1366	222	17	stable	stable	ADJ
dti-1366	222	18	complex	complex	NOUN
dti-1366	222	19	with	with	ADP
dti-1366	222	20	ns5	ns5	NOUN
dti-1366	222	21	methyltransferase	methyltransferase	NOUN
dti-1366	222	22	enzyme	enzyme	NOUN
dti-1366	222	23	;	;	PUNCT
dti-1366	222	24	this	this	PRON
dti-1366	222	25	is	be	AUX
dti-1366	222	26	because	because	SCONJ
dti-1366	222	27	the	the	DET
dti-1366	222	28	complex	complex	NOUN
dti-1366	222	29	of	of	ADP
dti-1366	222	30	sah	sah	NOUN
dti-1366	222	31	-	-	PUNCT
dti-1366	222	32	m1356	m1356	NOUN
dti-1366	222	33	ligand	ligand	NOUN
dti-1366	222	34	and	and	CCONJ
dti-1366	222	35	ns5	ns5	NOUN
dti-1366	222	36	methyltransferase	methyltransferase	NOUN
dti-1366	222	37	enzyme	enzyme	NOUN
dti-1366	222	38	has	have	VERB
dti-1366	222	39	the	the	DET
dti-1366	222	40	smallest	small	ADJ
dti-1366	222	41	rmsd	rmsd	NOUN
dti-1366	222	42	value	value	NOUN
dti-1366	222	43	at	at	ADP
dti-1366	222	44	312	312	NUM
dti-1366	222	45	k	k	NOUN
dti-1366	222	46	,	,	PUNCT
dti-1366	222	47	indicating	indicate	VERB
dti-1366	222	48	that	that	SCONJ
dti-1366	222	49	the	the	DET
dti-1366	222	50	complex	complex	NOUN
dti-1366	222	51	would	would	AUX
dti-1366	222	52	be	be	AUX
dti-1366	222	53	stably	stably	ADV
dti-1366	222	54	formed	form	VERB
dti-1366	222	55	and	and	CCONJ
dti-1366	222	56	the	the	DET
dti-1366	222	57	capping	capping	NOUN
dti-1366	222	58	of	of	ADP
dti-1366	222	59	new	new	ADJ
dti-1366	222	60	rna	rna	NOUN
dti-1366	222	61	of	of	ADP
dti-1366	222	62	denv	denv	NOUN
dti-1366	222	63	would	would	AUX
dti-1366	222	64	unlikely	unlikely	ADV
dti-1366	222	65	happen	happen	VERB
dti-1366	222	66	.	.	PUNCT
dti-1366	223	1	in	in	ADP
dti-1366	223	2	addition	addition	NOUN
dti-1366	223	3	,	,	PUNCT
dti-1366	223	4	the	the	DET
dti-1366	223	5	rmsd	rmsd	ADJ
dti-1366	223	6	value	value	NOUN
dti-1366	223	7	of	of	ADP
dti-1366	223	8	sah	sah	PROPN
dti-1366	223	9	-	-	PUNCT
dti-1366	223	10	m331	m331	PROPN
dti-1366	223	11	complex	complex	NOUN
dti-1366	223	12	at	at	ADP
dti-1366	223	13	different	different	ADJ
dti-1366	223	14	temperatures	temperature	NOUN
dti-1366	223	15	was	be	AUX
dti-1366	223	16	very	very	ADV
dti-1366	223	17	different	different	ADJ
dti-1366	223	18	.	.	PUNCT
dti-1366	224	1	although	although	SCONJ
dti-1366	224	2	at	at	ADP
dti-1366	224	3	310	310	NUM
dti-1366	224	4	k	k	NOUN
dti-1366	224	5	the	the	DET
dti-1366	224	6	complex	complex	NOUN
dti-1366	224	7	seems	seem	VERB
dti-1366	224	8	to	to	PART
dti-1366	224	9	have	have	VERB
dti-1366	224	10	low	low	ADJ
dti-1366	224	11	rmsd	rmsd	NOUN
dti-1366	224	12	value	value	NOUN
dti-1366	224	13	(	(	PUNCT
dti-1366	224	14	at	at	ADP
dti-1366	224	15	1.5	1.5	NUM
dti-1366	224	16	-	-	SYM
dti-1366	224	17	1.8	1.8	NUM
dti-1366	224	18	å	å	NOUN
dti-1366	224	19	)	)	PUNCT
dti-1366	224	20	,	,	PUNCT
dti-1366	224	21	the	the	DET
dti-1366	224	22	complex	complex	NOUN
dti-1366	224	23	tends	tend	VERB
dti-1366	224	24	to	to	PART
dti-1366	224	25	have	have	VERB
dti-1366	224	26	high	high	ADJ
dti-1366	224	27	rmsd	rmsd	NOUN
dti-1366	224	28	value	value	NOUN
dti-1366	224	29	(	(	PUNCT
dti-1366	224	30	at	at	ADP
dti-1366	224	31	3.5	3.5	NUM
dti-1366	224	32	-	-	SYM
dti-1366	224	33	4.5	4.5	NUM
dti-1366	224	34	å	å	NOUN
dti-1366	224	35	)	)	PUNCT
dti-1366	224	36	at	at	ADP
dti-1366	224	37	312	312	NUM
dti-1366	224	38	k.	k.	NOUN
dti-1366	224	39	moreover	moreover	ADV
dti-1366	224	40	,	,	PUNCT
dti-1366	224	41	the	the	DET
dti-1366	224	42	ligand	ligand	NOUN
dti-1366	224	43	sah	sah	PROPN
dti-1366	224	44	-	-	PUNCT
dti-1366	224	45	m2696	m2696	PROPN
dti-1366	224	46	has	have	VERB
dti-1366	224	47	the	the	DET
dti-1366	224	48	highest	high	ADJ
dti-1366	224	49	rmsd	rmsd	NOUN
dti-1366	224	50	value	value	NOUN
dti-1366	224	51	,	,	PUNCT
dti-1366	224	52	compared	compare	VERB
dti-1366	224	53	with	with	ADP
dti-1366	224	54	the	the	DET
dti-1366	224	55	other	other	ADJ
dti-1366	224	56	2	2	NUM
dti-1366	224	57	ligands	ligand	NOUN
dti-1366	224	58	(	(	PUNCT
dti-1366	224	59	3.5	3.5	NUM
dti-1366	224	60	-	-	SYM
dti-1366	224	61	4.0	4.0	NUM
dti-1366	224	62	å	å	NOUN
dti-1366	224	63	and	and	CCONJ
dti-1366	224	64	4.05.0	4.05.0	NUM
dti-1366	224	65	å	å	NOUN
dti-1366	224	66	at	at	ADP
dti-1366	224	67	310	310	NUM
dti-1366	224	68	and	and	CCONJ
dti-1366	224	69	312	312	NUM
dti-1366	224	70	k	k	NOUN
dti-1366	224	71	,	,	PUNCT
dti-1366	224	72	respectively	respectively	ADV
dti-1366	224	73	)	)	PUNCT
dti-1366	224	74	,	,	PUNCT
dti-1366	224	75	suggesting	suggest	VERB
dti-1366	224	76	that	that	SCONJ
dti-1366	224	77	the	the	DET
dti-1366	224	78	ligand	ligand	ADJ
dti-1366	224	79	modification	modification	NOUN
dti-1366	224	80	of	of	ADP
dti-1366	224	81	sah	sah	PROPN
dti-1366	224	82	-	-	PUNCT
dti-1366	224	83	m2696	m2696	PROPN
dti-1366	224	84	is	be	AUX
dti-1366	224	85	more	more	ADV
dti-1366	224	86	active	active	ADJ
dti-1366	224	87	and	and	CCONJ
dti-1366	224	88	forms	form	VERB
dti-1366	224	89	less	less	ADV
dti-1366	224	90	stable	stable	ADJ
dti-1366	224	91	ligand	ligand	NOUN
dti-1366	224	92	-	-	PUNCT
dti-1366	224	93	enzyme	enzyme	NOUN
dti-1366	224	94	complex	complex	NOUN
dti-1366	224	95	than	than	ADP
dti-1366	224	96	the	the	DET
dti-1366	224	97	other	other	ADJ
dti-1366	224	98	ligands	ligand	NOUN
dti-1366	224	99	.	.	PUNCT
dti-1366	225	1	furthermore	furthermore	ADV
dti-1366	225	2	,	,	PUNCT
dti-1366	225	3	the	the	DET
dti-1366	225	4	molecular	molecular	ADJ
dti-1366	225	5	interaction	interaction	NOUN
dti-1366	225	6	between	between	ADP
dti-1366	225	7	the	the	DET
dti-1366	225	8	ligand	ligand	ADJ
dti-1366	225	9	-	-	PUNCT
dti-1366	225	10	enzyme	enzyme	NOUN
dti-1366	225	11	complexes	complex	NOUN
dti-1366	225	12	between	between	ADP
dti-1366	225	13	the	the	DET
dti-1366	225	14	different	different	ADJ
dti-1366	225	15	molecular	molecular	ADJ
dti-1366	225	16	dynamics	dynamic	NOUN
dti-1366	225	17	simulation	simulation	NOUN
dti-1366	225	18	stages	stage	NOUN
dti-1366	225	19	was	be	AUX
dti-1366	225	20	also	also	ADV
dti-1366	225	21	evaluated	evaluate	VERB
dti-1366	225	22	.	.	PUNCT
dti-1366	226	1	in	in	ADP
dti-1366	226	2	this	this	DET
dti-1366	226	3	study	study	NOUN
dti-1366	226	4	,	,	PUNCT
dti-1366	226	5	we	we	PRON
dti-1366	226	6	compared	compare	VERB
dti-1366	226	7	the	the	DET
dti-1366	226	8	molecular	molecular	ADJ
dti-1366	226	9	interaction	interaction	NOUN
dti-1366	226	10	,	,	PUNCT
dti-1366	226	11	including	include	VERB
dti-1366	226	12	hydrogen	hydrogen	NOUN
dti-1366	226	13	bond	bond	NOUN
dti-1366	226	14	and	and	CCONJ
dti-1366	226	15	residue	residue	NOUN
dti-1366	226	16	contact	contact	NOUN
dti-1366	226	17	,	,	PUNCT
dti-1366	226	18	before	before	SCONJ
dti-1366	226	19	and	and	CCONJ
dti-1366	226	20	after	after	ADP
dti-1366	226	21	molecular	molecular	ADJ
dti-1366	226	22	dynamics	dynamic	NOUN
dti-1366	226	23	simulation	simulation	NOUN
dti-1366	226	24	was	be	AUX
dti-1366	226	25	performed	perform	VERB
dti-1366	226	26	.	.	PUNCT
dti-1366	227	1	as	as	SCONJ
dti-1366	227	2	shown	show	VERB
dti-1366	227	3	in	in	ADP
dti-1366	227	4	table	table	NOUN
dti-1366	227	5	7	7	NUM
dti-1366	227	6	,	,	PUNCT
dti-1366	227	7	the	the	DET
dti-1366	227	8	molecular	molecular	ADJ
dti-1366	227	9	interaction	interaction	NOUN
dti-1366	227	10	between	between	ADP
dti-1366	227	11	the	the	DET
dti-1366	227	12	ligand	ligand	ADJ
dti-1366	227	13	modification	modification	NOUN
dti-1366	227	14	of	of	ADP
dti-1366	227	15	sah	sah	PROPN
dti-1366	227	16	-	-	PUNCT
dti-1366	227	17	m331	m331	PROPN
dti-1366	227	18	,	,	PUNCT
dti-1366	227	19	sah	sah	NOUN
dti-1366	227	20	-	-	PUNCT
dti-1366	227	21	m2696	m2696	NOUN
dti-1366	227	22	,	,	PUNCT
dti-1366	227	23	and	and	CCONJ
dti-1366	227	24	sah	sah	NOUN
dti-1366	227	25	-	-	PUNCT
dti-1366	227	26	m1356	m1356	NOUN
dti-1366	227	27	still	still	ADV
dti-1366	227	28	occurs	occur	VERB
dti-1366	227	29	with	with	ADP
dti-1366	227	30	their	their	PRON
dti-1366	227	31	respective	respective	ADJ
dti-1366	227	32	enzymes	enzyme	NOUN
dti-1366	227	33	at	at	ADP
dti-1366	227	34	2	2	NUM
dti-1366	227	35	different	different	ADJ
dti-1366	227	36	temperatures	temperature	NOUN
dti-1366	227	37	.	.	PUNCT
dti-1366	228	1	however	however	ADV
dti-1366	228	2	,	,	PUNCT
dti-1366	228	3	we	we	PRON
dti-1366	228	4	can	can	AUX
dti-1366	228	5	also	also	ADV
dti-1366	228	6	see	see	VERB
dti-1366	228	7	that	that	SCONJ
dti-1366	228	8	the	the	DET
dti-1366	228	9	molecular	molecular	ADJ
dti-1366	228	10	interaction	interaction	NOUN
dti-1366	228	11	of	of	ADP
dti-1366	228	12	figure	figure	NOUN
dti-1366	228	13	6	6	NUM
dti-1366	228	14	.	.	PUNCT
dti-1366	229	1	the	the	DET
dti-1366	229	2	rmsd	rmsd	ADJ
dti-1366	229	3	curve	curve	NOUN
dti-1366	229	4	of	of	ADP
dti-1366	229	5	sah	sah	PROPN
dti-1366	229	6	-	-	PUNCT
dti-1366	229	7	m331	m331	PROPN
dti-1366	229	8	ligand	ligand	NOUN
dti-1366	229	9	complex	complex	NOUN
dti-1366	229	10	(	(	PUNCT
dti-1366	229	11	top	top	NOUN
dti-1366	229	12	)	)	PUNCT
dti-1366	229	13	,	,	PUNCT
dti-1366	229	14	sah	sah	NOUN
dti-1366	229	15	-	-	PUNCT
dti-1366	229	16	m2696	m2696	PROPN
dti-1366	229	17	(	(	PUNCT
dti-1366	229	18	middle	middle	NOUN
dti-1366	229	19	)	)	PUNCT
dti-1366	229	20	,	,	PUNCT
dti-1366	229	21	and	and	CCONJ
dti-1366	229	22	sah	sah	NOUN
dti-1366	229	23	-	-	PUNCT
dti-1366	229	24	m1356	m1356	NOUN
dti-1366	229	25	(	(	PUNCT
dti-1366	229	26	bottom	bottom	ADJ
dti-1366	229	27	)	)	PUNCT
dti-1366	229	28	.	.	PUNCT
dti-1366	230	1	rmsd	rmsd	PROPN
dti-1366	230	2	indicates	indicate	VERB
dti-1366	230	3	root	root	NOUN
dti-1366	230	4	-	-	PUNCT
dti-1366	230	5	mean	mean	ADJ
dti-1366	230	6	-	-	PUNCT
dti-1366	230	7	square	square	NOUN
dti-1366	230	8	deviation	deviation	NOUN
dti-1366	230	9	;	;	PUNCT
dti-1366	230	10	sah	sah	PROPN
dti-1366	230	11	,	,	PUNCT
dti-1366	230	12	s	s	NOUN
dti-1366	230	13	-	-	PUNCT
dti-1366	230	14	adenosyl	adenosyl	ADJ
dti-1366	230	15	-	-	PUNCT
dti-1366	230	16	l	l	NOUN
dti-1366	230	17	-	-	NOUN
dti-1366	230	18	homocysteine	homocysteine	NOUN
dti-1366	230	19	.	.	PUNCT
dti-1366	231	1	12	12	NUM
dti-1366	231	2	drug	drug	NOUN
dti-1366	231	3	target	target	NOUN
dti-1366	231	4	insights	insight	NOUN
dti-1366	231	5	figure	figure	VERB
dti-1366	231	6	7	7	NUM
dti-1366	231	7	.	.	PUNCT
dti-1366	231	8	molecular	molecular	ADJ
dti-1366	231	9	interaction	interaction	NOUN
dti-1366	231	10	and	and	CCONJ
dti-1366	231	11	2	2	NUM
dti-1366	231	12	-	-	PUNCT
dti-1366	231	13	dimensional	dimensional	ADJ
dti-1366	231	14	visualization	visualization	NOUN
dti-1366	231	15	of	of	ADP
dti-1366	231	16	sah	sah	NOUN
dti-1366	231	17	-	-	PUNCT
dti-1366	231	18	based	base	VERB
dti-1366	231	19	ligands	ligand	NOUN
dti-1366	231	20	after	after	ADP
dti-1366	231	21	molecular	molecular	ADJ
dti-1366	231	22	dynamics	dynamic	NOUN
dti-1366	231	23	simulation	simulation	NOUN
dti-1366	231	24	at	at	ADP
dti-1366	231	25	310	310	NUM
dti-1366	231	26	k	k	NOUN
dti-1366	231	27	(	(	PUNCT
dti-1366	231	28	left	left	ADJ
dti-1366	231	29	side	side	NOUN
dti-1366	231	30	)	)	PUNCT
dti-1366	231	31	and	and	CCONJ
dti-1366	231	32	312	312	NUM
dti-1366	231	33	k	k	NOUN
dti-1366	231	34	(	(	PUNCT
dti-1366	231	35	right	right	ADJ
dti-1366	231	36	side	side	NOUN
dti-1366	231	37	)	)	PUNCT
dti-1366	231	38	,	,	PUNCT
dti-1366	231	39	namely	namely	ADV
dti-1366	231	40	,	,	PUNCT
dti-1366	231	41	sah	sah	PROPN
dti-1366	231	42	-	-	PUNCT
dti-1366	231	43	m331	m331	PROPN
dti-1366	231	44	(	(	PUNCT
dti-1366	231	45	top	top	NOUN
dti-1366	231	46	)	)	PUNCT
dti-1366	231	47	,	,	PUNCT
dti-1366	231	48	sah	sah	NOUN
dti-1366	231	49	-	-	PUNCT
dti-1366	231	50	m2696	m2696	PROPN
dti-1366	231	51	(	(	PUNCT
dti-1366	231	52	middle	middle	NOUN
dti-1366	231	53	)	)	PUNCT
dti-1366	231	54	,	,	PUNCT
dti-1366	231	55	and	and	CCONJ
dti-1366	231	56	sah	sah	NOUN
dti-1366	231	57	-	-	PUNCT
dti-1366	231	58	m1356	m1356	NOUN
dti-1366	231	59	(	(	PUNCT
dti-1366	231	60	bottom	bottom	ADJ
dti-1366	231	61	)	)	PUNCT
dti-1366	231	62	.	.	PUNCT
dti-1366	232	1	sah	sah	PROPN
dti-1366	232	2	indicates	indicate	VERB
dti-1366	232	3	s	s	NOUN
dti-1366	232	4	-	-	PUNCT
dti-1366	232	5	adenosyl	adenosyl	ADJ
dti-1366	232	6	-	-	PUNCT
dti-1366	232	7	l	l	NOUN
dti-1366	232	8	-	-	NOUN
dti-1366	232	9	homocysteine	homocysteine	NOUN
dti-1366	232	10	.	.	PUNCT
dti-1366	233	1	table	table	NOUN
dti-1366	233	2	7	7	NUM
dti-1366	233	3	.	.	PUNCT
dti-1366	233	4	comparison	comparison	NOUN
dti-1366	233	5	of	of	ADP
dti-1366	233	6	molecular	molecular	ADJ
dti-1366	233	7	interaction	interaction	NOUN
dti-1366	233	8	before	before	ADP
dti-1366	233	9	(	(	PUNCT
dti-1366	233	10	after	after	ADP
dti-1366	233	11	docking	docking	NOUN
dti-1366	233	12	)	)	PUNCT
dti-1366	233	13	and	and	CCONJ
dti-1366	233	14	after	after	ADP
dti-1366	233	15	dynamics	dynamic	NOUN
dti-1366	233	16	simulation	simulation	NOUN
dti-1366	233	17	.	.	PUNCT
dti-1366	234	1	simulation	simulation	NOUN
dti-1366	234	2	time/	time/	NUM
dti-1366	234	3	ligands	ligand	NOUN
dti-1366	234	4	sah	sah	PROPN
dti-1366	234	5	-	-	PUNCT
dti-1366	234	6	m331	m331	PROPN
dti-1366	234	7	sah	sah	PROPN
dti-1366	234	8	-	-	PUNCT
dti-1366	234	9	m2696	m2696	NOUN
dti-1366	234	10	sah	sah	NOUN
dti-1366	234	11	-	-	PUNCT
dti-1366	234	12	m1356	m1356	NOUN
dti-1366	234	13	docking	docking	NOUN
dti-1366	234	14	simulation	simulation	NOUN
dti-1366	234	15	trp87	trp87	PROPN
dti-1366	234	16	,	,	PUNCT
dti-1366	234	17	asp146	asp146	PROPN
dti-1366	234	18	,	,	PUNCT
dti-1366	234	19	lys105	lys105	PROPN
dti-1366	234	20	,	,	PUNCT
dti-1366	234	21	lys181	lys181	PROPN
dti-1366	234	22	,	,	PUNCT
dti-1366	234	23	asp146	asp146	PROPN
dti-1366	234	24	asp146	asp146	PROPN
dti-1366	234	25	,	,	PUNCT
dti-1366	234	26	lys181	lys181	PROPN
dti-1366	234	27	,	,	PUNCT
dti-1366	234	28	lys61	lys61	ADJ
dti-1366	234	29	,	,	PUNCT
dti-1366	234	30	asp146	asp146	NOUN
dti-1366	234	31	,	,	PUNCT
dti-1366	234	32	trp87	trp87	PROPN
dti-1366	234	33	,	,	PUNCT
dti-1366	234	34	gly81	gly81	ADJ
dti-1366	234	35	,	,	PUNCT
dti-1366	234	36	asp146	asp146	NOUN
dti-1366	234	37	,	,	PUNCT
dti-1366	234	38	trp87	trp87	PROPN
dti-1366	234	39	lys105	lys105	PROPN
dti-1366	234	40	,	,	PUNCT
dti-1366	234	41	his110	his110	PROPN
dti-1366	234	42	,	,	PUNCT
dti-1366	234	43	glu149	glu149	NOUN
dti-1366	234	44	,	,	PUNCT
dti-1366	234	45	lys61	lys61	ADJ
dti-1366	234	46	,	,	PUNCT
dti-1366	234	47	asp146	asp146	NOUN
dti-1366	234	48	molecular	molecular	ADJ
dti-1366	234	49	dynamics	dynamic	NOUN
dti-1366	234	50	simulation	simulation	NOUN
dti-1366	234	51	(	(	PUNCT
dti-1366	234	52	310	310	NUM
dti-1366	234	53	k	k	NOUN
dti-1366	234	54	)	)	PUNCT
dti-1366	235	1	asp79	asp79	PROPN
dti-1366	235	2	,	,	PUNCT
dti-1366	235	3	asp79	asp79	ADV
dti-1366	235	4	,	,	PUNCT
dti-1366	235	5	gly81	gly81	ADJ
dti-1366	235	6	,	,	PUNCT
dti-1366	235	7	gly81	gly81	ADJ
dti-1366	235	8	,	,	PUNCT
dti-1366	235	9	asp146	asp146	NOUN
dti-1366	235	10	,	,	PUNCT
dti-1366	235	11	asp146	asp146	NOUN
dti-1366	235	12	,	,	PUNCT
dti-1366	235	13	asp146	asp146	NOUN
dti-1366	235	14	,	,	PUNCT
dti-1366	235	15	arg57	arg57	PROPN
dti-1366	235	16	,	,	PUNCT
dti-1366	235	17	lys61	lys61	ADJ
dti-1366	235	18	,	,	PUNCT
dti-1366	235	19	arg160	arg160	PROPN
dti-1366	235	20	,	,	PUNCT
dti-1366	235	21	lys181	lys181	PROPN
dti-1366	235	22	,	,	PUNCT
dti-1366	235	23	tyr219	tyr219	PROPN
dti-1366	235	24	,	,	PUNCT
dti-1366	235	25	asp146	asp146	NOUN
dti-1366	235	26	,	,	PUNCT
dti-1366	235	27	asp146	asp146	NOUN
dti-1366	235	28	,	,	PUNCT
dti-1366	235	29	his110	his110	PROPN
dti-1366	235	30	,	,	PUNCT
dti-1366	235	31	trp87	trp87	PROPN
dti-1366	235	32	,	,	PUNCT
dti-1366	235	33	trp87	trp87	PROPN
dti-1366	235	34	,	,	PUNCT
dti-1366	235	35	trp87	trp87	VERB
dti-1366	235	36	asp79	asp79	ADV
dti-1366	235	37	,	,	PUNCT
dti-1366	235	38	asp79	asp79	ADV
dti-1366	235	39	,	,	PUNCT
dti-1366	235	40	asp79	asp79	ADV
dti-1366	235	41	,	,	PUNCT
dti-1366	235	42	leu80	leu80	NOUN
dti-1366	235	43	,	,	PUNCT
dti-1366	235	44	glu111	glu111	PROPN
dti-1366	235	45	,	,	PUNCT
dti-1366	235	46	asp146	asp146	NOUN
dti-1366	235	47	,	,	PUNCT
dti-1366	235	48	asp146	asp146	NOUN
dti-1366	235	49	,	,	PUNCT
dti-1366	235	50	asp146	asp146	NOUN
dti-1366	235	51	,	,	PUNCT
dti-1366	235	52	glu149	glu149	NOUN
dti-1366	235	53	,	,	PUNCT
dti-1366	235	54	glu149	glu149	NOUN
dti-1366	235	55	,	,	PUNCT
dti-1366	235	56	lys61	lys61	NOUN
dti-1366	235	57	,	,	PUNCT
dti-1366	235	58	trp87	trp87	PROPN
dti-1366	235	59	,	,	PUNCT
dti-1366	235	60	lys181	lys181	PROPN
dti-1366	235	61	,	,	PUNCT
dti-1366	235	62	asp79	asp79	PROPN
dti-1366	235	63	,	,	PUNCT
dti-1366	235	64	glu111	glu111	PROPN
dti-1366	235	65	,	,	PUNCT
dti-1366	235	66	asp146	asp146	NOUN
dti-1366	235	67	,	,	PUNCT
dti-1366	235	68	asp146	asp146	NOUN
dti-1366	235	69	,	,	PUNCT
dti-1366	235	70	lys61	lys61	ADJ
dti-1366	235	71	,	,	PUNCT
dti-1366	235	72	trp87	trp87	PROPN
dti-1366	235	73	asp146	asp146	NOUN
dti-1366	235	74	,	,	PUNCT
dti-1366	235	75	gly148	gly148	NOUN
dti-1366	235	76	,	,	PUNCT
dti-1366	235	77	lys42	lys42	PROPN
dti-1366	235	78	,	,	PUNCT
dti-1366	235	79	arg57	arg57	PROPN
dti-1366	235	80	,	,	PUNCT
dti-1366	235	81	arg57	arg57	ADJ
dti-1366	235	82	,	,	PUNCT
dti-1366	235	83	lys61	lys61	ADJ
dti-1366	235	84	,	,	PUNCT
dti-1366	235	85	trp87	trp87	PROPN
dti-1366	235	86	,	,	PUNCT
dti-1366	235	87	his110	his110	PROPN
dti-1366	235	88	,	,	PUNCT
dti-1366	235	89	arg163	arg163	PROPN
dti-1366	235	90	,	,	PUNCT
dti-1366	235	91	arg163	arg163	PROPN
dti-1366	235	92	,	,	PUNCT
dti-1366	235	93	lys181	lys181	NOUN
dti-1366	235	94	molecular	molecular	ADJ
dti-1366	235	95	dynamics	dynamic	NOUN
dti-1366	235	96	simulation	simulation	NOUN
dti-1366	235	97	(	(	PUNCT
dti-1366	235	98	312	312	NUM
dti-1366	235	99	k	k	NOUN
dti-1366	235	100	)	)	PUNCT
dti-1366	235	101	gly81	gly81	ADJ
dti-1366	235	102	,	,	PUNCT
dti-1366	235	103	glu111	glu111	PROPN
dti-1366	235	104	,	,	PUNCT
dti-1366	235	105	asp146	asp146	NOUN
dti-1366	235	106	,	,	PUNCT
dti-1366	235	107	asp146	asp146	NOUN
dti-1366	235	108	,	,	PUNCT
dti-1366	235	109	asp146	asp146	NOUN
dti-1366	235	110	,	,	PUNCT
dti-1366	235	111	gly148	gly148	NOUN
dti-1366	235	112	,	,	PUNCT
dti-1366	235	113	lys105	lys105	PROPN
dti-1366	235	114	,	,	PUNCT
dti-1366	235	115	lys105	lys105	PROPN
dti-1366	235	116	,	,	PUNCT
dti-1366	235	117	arg160	arg160	PROPN
dti-1366	235	118	,	,	PUNCT
dti-1366	235	119	arg163	arg163	PROPN
dti-1366	235	120	,	,	PUNCT
dti-1366	235	121	arg163	arg163	PROPN
dti-1366	235	122	,	,	PUNCT
dti-1366	235	123	asp146	asp146	NOUN
dti-1366	235	124	,	,	PUNCT
dti-1366	235	125	glu149	glu149	NOUN
dti-1366	235	126	,	,	PUNCT
dti-1366	235	127	trp87	trp87	PROPN
dti-1366	235	128	,	,	PUNCT
dti-1366	235	129	arg163	arg163	PROPN
dti-1366	235	130	ser59	ser59	PROPN
dti-1366	235	131	,	,	PUNCT
dti-1366	235	132	asp79	asp79	PROPN
dti-1366	235	133	,	,	PUNCT
dti-1366	235	134	gly106	gly106	NOUN
dti-1366	235	135	,	,	PUNCT
dti-1366	235	136	glu111	glu111	PROPN
dti-1366	235	137	,	,	PUNCT
dti-1366	235	138	glu111	glu111	PROPN
dti-1366	235	139	,	,	PUNCT
dti-1366	235	140	leu144	leu144	PROPN
dti-1366	235	141	,	,	PUNCT
dti-1366	235	142	asp146	asp146	PROPN
dti-1366	235	143	,	,	PUNCT
dti-1366	235	144	asp	asp	PROPN
dti-1366	235	145	46	46	NUM
dti-1366	235	146	,	,	PUNCT
dti-1366	235	147	asp146	asp146	NOUN
dti-1366	235	148	,	,	PUNCT
dti-1366	235	149	lys22	lys22	PROPN
dti-1366	235	150	,	,	PUNCT
dti-1366	235	151	his110	his110	PROPN
dti-1366	235	152	,	,	PUNCT
dti-1366	235	153	asp146	asp146	PROPN
dti-1366	235	154	,	,	PUNCT
dti-1366	235	155	lys22	lys22	PROPN
dti-1366	235	156	glu111	glu111	PROPN
dti-1366	235	157	,	,	PUNCT
dti-1366	235	158	asp146	asp146	NOUN
dti-1366	235	159	,	,	PUNCT
dti-1366	235	160	gly148	gly148	NOUN
dti-1366	235	161	,	,	PUNCT
dti-1366	235	162	arg163	arg163	PROPN
dti-1366	235	163	,	,	PUNCT
dti-1366	235	164	arg163	arg163	PROPN
dti-1366	235	165	,	,	PUNCT
dti-1366	235	166	arg212	arg212	PROPN
dti-1366	235	167	,	,	PUNCT
dti-1366	235	168	arg212	arg212	PROPN
dti-1366	235	169	,	,	PUNCT
dti-1366	235	170	lys105	lys105	NOUN
dti-1366	235	171	abbreviation	abbreviation	NOUN
dti-1366	235	172	:	:	PUNCT
dti-1366	235	173	sah	sah	PROPN
dti-1366	235	174	,	,	PUNCT
dti-1366	235	175	s	s	NOUN
dti-1366	235	176	-	-	PUNCT
dti-1366	235	177	adenosyl	adenosyl	ADJ
dti-1366	235	178	-	-	PUNCT
dti-1366	235	179	l	l	NOUN
dti-1366	235	180	-	-	NOUN
dti-1366	235	181	homocysteine	homocysteine	NOUN
dti-1366	235	182	.	.	PUNCT
dti-1366	236	1	red	red	ADJ
dti-1366	236	2	color	color	NOUN
dti-1366	236	3	indicates	indicate	VERB
dti-1366	236	4	the	the	DET
dti-1366	236	5	active	active	ADJ
dti-1366	236	6	site	site	NOUN
dti-1366	236	7	of	of	ADP
dti-1366	236	8	ns5	ns5	NOUN
dti-1366	236	9	methyltransferase	methyltransferase	NOUN
dti-1366	236	10	enzyme	enzyme	NOUN
dti-1366	236	11	contact	contact	NOUN
dti-1366	236	12	.	.	PUNCT
dti-1366	237	1	tambunan	tambunan	NOUN
dti-1366	237	2	et	et	PROPN
dti-1366	238	1	al	al	PROPN
dti-1366	238	2	13	13	NUM
dti-1366	238	3	these	these	DET
dti-1366	238	4	ligands	ligand	NOUN
dti-1366	238	5	,	,	PUNCT
dti-1366	238	6	at	at	ADP
dti-1366	238	7	various	various	ADJ
dti-1366	238	8	temperatures	temperature	NOUN
dti-1366	238	9	and	and	CCONJ
dti-1366	238	10	stages	stage	NOUN
dti-1366	238	11	,	,	PUNCT
dti-1366	238	12	has	have	AUX
dti-1366	238	13	significantly	significantly	ADV
dti-1366	238	14	changed	change	VERB
dti-1366	238	15	as	as	ADV
dti-1366	238	16	well	well	ADV
dti-1366	238	17	.	.	PUNCT
dti-1366	239	1	after	after	ADP
dti-1366	239	2	molecular	molecular	ADJ
dti-1366	239	3	dynamics	dynamic	NOUN
dti-1366	239	4	simulation	simulation	NOUN
dti-1366	239	5	at	at	ADP
dti-1366	239	6	310	310	NUM
dti-1366	239	7	k	k	NOUN
dti-1366	239	8	,	,	PUNCT
dti-1366	239	9	the	the	DET
dti-1366	239	10	sah	sah	PROPN
dti-1366	239	11	-	-	PUNCT
dti-1366	239	12	m331	m331	PROPN
dti-1366	239	13	complex	complex	NOUN
dti-1366	239	14	tends	tend	VERB
dti-1366	239	15	to	to	PART
dti-1366	239	16	have	have	VERB
dti-1366	239	17	better	well	ADJ
dti-1366	239	18	stability	stability	NOUN
dti-1366	239	19	;	;	PUNCT
dti-1366	239	20	this	this	PRON
dti-1366	239	21	is	be	AUX
dti-1366	239	22	shown	show	VERB
dti-1366	239	23	from	from	ADP
dti-1366	239	24	the	the	DET
dti-1366	239	25	18	18	NUM
dti-1366	239	26	interactions	interaction	NOUN
dti-1366	239	27	that	that	PRON
dti-1366	239	28	occur	occur	VERB
dti-1366	239	29	in	in	ADP
dti-1366	239	30	the	the	DET
dti-1366	239	31	complex	complex	NOUN
dti-1366	239	32	,	,	PUNCT
dti-1366	239	33	including	include	VERB
dti-1366	239	34	5	5	NUM
dti-1366	239	35	interactions	interaction	NOUN
dti-1366	239	36	with	with	ADP
dti-1366	239	37	asp146	asp146	NOUN
dti-1366	239	38	and	and	CCONJ
dti-1366	239	39	2	2	NUM
dti-1366	239	40	interactions	interaction	NOUN
dti-1366	239	41	with	with	ADP
dti-1366	239	42	lys181	lys181	PROPN
dti-1366	239	43	.	.	PUNCT
dti-1366	240	1	moreover	moreover	ADV
dti-1366	240	2	,	,	PUNCT
dti-1366	240	3	the	the	DET
dti-1366	240	4	arene	arene	NOUN
dti-1366	240	5	-	-	PUNCT
dti-1366	240	6	cation	cation	NOUN
dti-1366	240	7	interaction	interaction	NOUN
dti-1366	240	8	between	between	ADP
dti-1366	240	9	nh3	nh3	PROPN
dti-1366	240	10	+	+	CCONJ
dti-1366	240	11	also	also	ADV
dti-1366	240	12	happens	happen	VERB
dti-1366	240	13	with	with	ADP
dti-1366	240	14	the	the	DET
dti-1366	240	15	benzene	benzene	NOUN
dti-1366	240	16	group	group	NOUN
dti-1366	240	17	of	of	ADP
dti-1366	240	18	trp87	trp87	PROPN
dti-1366	240	19	.	.	PUNCT
dti-1366	241	1	then	then	ADV
dti-1366	241	2	,	,	PUNCT
dti-1366	241	3	the	the	DET
dti-1366	241	4	sah	sah	NOUN
dti-1366	241	5	-	-	PUNCT
dti-1366	241	6	m2696	m2696	NOUN
dti-1366	241	7	complex	complex	NOUN
dti-1366	241	8	shows	show	VERB
dti-1366	241	9	similar	similar	ADJ
dti-1366	241	10	stability	stability	NOUN
dti-1366	241	11	when	when	SCONJ
dti-1366	241	12	4	4	NUM
dti-1366	241	13	interactions	interaction	NOUN
dti-1366	241	14	with	with	ADP
dti-1366	241	15	asp146	asp146	NOUN
dti-1366	241	16	and	and	CCONJ
dti-1366	241	17	lys61	lys61	NOUN
dti-1366	241	18	occur	occur	VERB
dti-1366	241	19	.	.	PUNCT
dti-1366	242	1	furthermore	furthermore	ADV
dti-1366	242	2	,	,	PUNCT
dti-1366	242	3	the	the	DET
dti-1366	242	4	molecular	molecular	ADJ
dti-1366	242	5	interaction	interaction	NOUN
dti-1366	242	6	of	of	ADP
dti-1366	242	7	sah	sah	NOUN
dti-1366	242	8	-	-	PUNCT
dti-1366	242	9	m1356	m1356	NOUN
dti-1366	242	10	complex	complex	NOUN
dti-1366	242	11	is	be	AUX
dti-1366	242	12	interestingly	interestingly	ADV
dti-1366	242	13	changed	change	VERB
dti-1366	242	14	from	from	ADP
dti-1366	242	15	its	its	PRON
dti-1366	242	16	docking	docking	NOUN
dti-1366	242	17	interaction	interaction	NOUN
dti-1366	242	18	when	when	SCONJ
dti-1366	242	19	the	the	DET
dti-1366	242	20	compound	compound	NOUN
dti-1366	242	21	binds	bind	VERB
dti-1366	242	22	well	well	ADV
dti-1366	242	23	with	with	ADP
dti-1366	242	24	asp146	asp146	NOUN
dti-1366	242	25	,	,	PUNCT
dti-1366	242	26	lys61	lys61	ADJ
dti-1366	242	27	,	,	PUNCT
dti-1366	242	28	trp87	trp87	NOUN
dti-1366	242	29	,	,	PUNCT
dti-1366	242	30	and	and	CCONJ
dti-1366	242	31	lys161	lys161	PROPN
dti-1366	242	32	.	.	PUNCT
dti-1366	243	1	during	during	ADP
dti-1366	243	2	simulation	simulation	NOUN
dti-1366	243	3	at	at	ADP
dti-1366	243	4	312	312	NUM
dti-1366	243	5	k	k	NOUN
dti-1366	243	6	,	,	PUNCT
dti-1366	243	7	the	the	DET
dti-1366	243	8	ligand	ligand	ADJ
dti-1366	243	9	modification	modification	NOUN
dti-1366	243	10	of	of	ADP
dti-1366	243	11	sah	sah	PROPN
dti-1366	243	12	-	-	PUNCT
dti-1366	243	13	m331	m331	PROPN
dti-1366	243	14	,	,	PUNCT
dti-1366	243	15	sah	sah	NOUN
dti-1366	243	16	-	-	PUNCT
dti-1366	243	17	m2696	m2696	NOUN
dti-1366	243	18	,	,	PUNCT
dti-1366	243	19	and	and	CCONJ
dti-1366	243	20	sahm1356	sahm1356	NOUN
dti-1366	243	21	still	still	ADV
dti-1366	243	22	undergoes	undergo	VERB
dti-1366	243	23	its	its	PRON
dti-1366	243	24	molecular	molecular	ADJ
dti-1366	243	25	interaction	interaction	NOUN
dti-1366	243	26	with	with	ADP
dti-1366	243	27	their	their	PRON
dti-1366	243	28	enzymes	enzyme	NOUN
dti-1366	243	29	,	,	PUNCT
dti-1366	243	30	forming	form	VERB
dti-1366	243	31	15	15	NUM
dti-1366	243	32	,	,	PUNCT
dti-1366	243	33	13	13	NUM
dti-1366	243	34	,	,	PUNCT
dti-1366	243	35	and	and	CCONJ
dti-1366	243	36	8	8	NUM
dti-1366	243	37	interactions	interaction	NOUN
dti-1366	243	38	,	,	PUNCT
dti-1366	243	39	respectively	respectively	ADV
dti-1366	243	40	.	.	PUNCT
dti-1366	244	1	therefore	therefore	ADV
dti-1366	244	2	,	,	PUNCT
dti-1366	244	3	we	we	PRON
dti-1366	244	4	concluded	conclude	VERB
dti-1366	244	5	that	that	SCONJ
dti-1366	244	6	the	the	DET
dti-1366	244	7	molecular	molecular	ADJ
dti-1366	244	8	dynamics	dynamic	NOUN
dti-1366	244	9	simulation	simulation	NOUN
dti-1366	244	10	increases	increase	VERB
dti-1366	244	11	the	the	DET
dti-1366	244	12	stability	stability	NOUN
dti-1366	244	13	of	of	ADP
dti-1366	244	14	the	the	DET
dti-1366	244	15	complex	complex	NOUN
dti-1366	244	16	,	,	PUNCT
dti-1366	244	17	and	and	CCONJ
dti-1366	244	18	the	the	DET
dti-1366	244	19	molecular	molecular	ADJ
dti-1366	244	20	interactions	interaction	NOUN
dti-1366	244	21	occur	occur	VERB
dti-1366	244	22	more	more	ADV
dti-1366	244	23	often	often	ADV
dti-1366	244	24	because	because	SCONJ
dti-1366	244	25	the	the	DET
dti-1366	244	26	enzymes	enzyme	NOUN
dti-1366	244	27	and	and	CCONJ
dti-1366	244	28	ligands	ligand	NOUN
dti-1366	244	29	are	be	AUX
dti-1366	244	30	produced	produce	VERB
dti-1366	244	31	under	under	ADP
dti-1366	244	32	flexible	flexible	ADJ
dti-1366	244	33	conditions	condition	NOUN
dti-1366	244	34	,	,	PUNCT
dti-1366	244	35	thus	thus	ADV
dti-1366	244	36	making	make	VERB
dti-1366	244	37	the	the	DET
dti-1366	244	38	complex	complex	ADJ
dti-1366	244	39	stable	stable	ADJ
dti-1366	244	40	.	.	PUNCT
dti-1366	245	1	the	the	DET
dti-1366	245	2	molecular	molecular	ADJ
dti-1366	245	3	interaction	interaction	NOUN
dti-1366	245	4	of	of	ADP
dti-1366	245	5	sahm331	sahm331	PROPN
dti-1366	245	6	,	,	PUNCT
dti-1366	245	7	sah	sah	NOUN
dti-1366	245	8	-	-	PUNCT
dti-1366	245	9	m2696	m2696	NOUN
dti-1366	245	10	,	,	PUNCT
dti-1366	245	11	and	and	CCONJ
dti-1366	245	12	sah	sah	NOUN
dti-1366	245	13	-	-	PUNCT
dti-1366	245	14	m1356	m1356	NOUN
dti-1366	245	15	with	with	ADP
dti-1366	245	16	ns5	ns5	NOUN
dti-1366	245	17	methyltransferase	methyltransferase	NOUN
dti-1366	245	18	enzymes	enzyme	NOUN
dti-1366	245	19	after	after	ADP
dti-1366	245	20	molecular	molecular	ADJ
dti-1366	245	21	dynamics	dynamic	NOUN
dti-1366	245	22	simulation	simulation	NOUN
dti-1366	245	23	at	at	ADP
dti-1366	245	24	310	310	NUM
dti-1366	245	25	and	and	CCONJ
dti-1366	245	26	312	312	NUM
dti-1366	245	27	k	k	NOUN
dti-1366	245	28	is	be	AUX
dti-1366	245	29	shown	show	VERB
dti-1366	245	30	in	in	ADP
dti-1366	245	31	figure	figure	NOUN
dti-1366	245	32	7	7	NUM
dti-1366	245	33	.	.	PUNCT
dti-1366	246	1	conclusions	conclusion	NOUN
dti-1366	246	2	in	in	ADP
dti-1366	246	3	this	this	DET
dti-1366	246	4	study	study	NOUN
dti-1366	246	5	,	,	PUNCT
dti-1366	246	6	3460	3460	NUM
dti-1366	246	7	modified	modify	VERB
dti-1366	246	8	sah	sah	NOUN
dti-1366	246	9	-	-	PUNCT
dti-1366	246	10	based	base	VERB
dti-1366	246	11	ligands	ligand	NOUN
dti-1366	246	12	were	be	AUX
dti-1366	246	13	created	create	VERB
dti-1366	246	14	and	and	CCONJ
dti-1366	246	15	tested	test	VERB
dti-1366	246	16	against	against	ADP
dti-1366	246	17	ns5	ns5	NOUN
dti-1366	246	18	methyltransferase	methyltransferase	NOUN
dti-1366	246	19	inhibitors	inhibitor	NOUN
dti-1366	246	20	through	through	ADP
dti-1366	246	21	molecular	molecular	ADJ
dti-1366	246	22	docking	docking	NOUN
dti-1366	246	23	and	and	CCONJ
dti-1366	246	24	molecular	molecular	ADJ
dti-1366	246	25	dynamics	dynamic	NOUN
dti-1366	246	26	simulation	simulation	NOUN
dti-1366	246	27	,	,	PUNCT
dti-1366	246	28	along	along	ADP
dti-1366	246	29	with	with	ADP
dti-1366	246	30	computational	computational	ADJ
dti-1366	246	31	adme	adme	NOUN
dti-1366	246	32	-	-	PUNCT
dti-1366	246	33	tox	tox	NOUN
dti-1366	246	34	test	test	NOUN
dti-1366	246	35	.	.	PUNCT
dti-1366	247	1	through	through	ADP
dti-1366	247	2	all	all	DET
dti-1366	247	3	the	the	DET
dti-1366	247	4	simulations	simulation	NOUN
dti-1366	247	5	that	that	PRON
dti-1366	247	6	we	we	PRON
dti-1366	247	7	have	have	AUX
dti-1366	247	8	done	do	VERB
dti-1366	247	9	,	,	PUNCT
dti-1366	247	10	we	we	PRON
dti-1366	247	11	concluded	conclude	VERB
dti-1366	247	12	that	that	SCONJ
dti-1366	247	13	sah	sah	NOUN
dti-1366	247	14	-	-	PUNCT
dti-1366	247	15	m1356	m1356	NOUN
dti-1366	247	16	is	be	AUX
dti-1366	247	17	the	the	DET
dti-1366	247	18	most	most	ADV
dti-1366	247	19	potential	potential	ADJ
dti-1366	247	20	sah	sah	NOUN
dti-1366	247	21	-	-	PUNCT
dti-1366	247	22	based	base	VERB
dti-1366	247	23	ligand	ligand	NOUN
dti-1366	247	24	to	to	PART
dti-1366	247	25	inhibit	inhibit	VERB
dti-1366	247	26	ns5	ns5	NOUN
dti-1366	247	27	methyltransferase	methyltransferase	NOUN
dti-1366	247	28	.	.	PUNCT
dti-1366	248	1	this	this	DET
dti-1366	248	2	ligand	ligand	NOUN
dti-1366	248	3	was	be	AUX
dti-1366	248	4	chosen	choose	VERB
dti-1366	248	5	because	because	SCONJ
dti-1366	248	6	it	it	PRON
dti-1366	248	7	has	have	VERB
dti-1366	248	8	lower	low	ADJ
dti-1366	248	9	gibbs	gibbs	PROPN
dti-1366	248	10	free	free	ADJ
dti-1366	248	11	binding	bind	VERB
dti-1366	248	12	energy	energy	NOUN
dti-1366	248	13	and	and	CCONJ
dti-1366	248	14	higher	high	ADJ
dti-1366	248	15	inhibition	inhibition	NOUN
dti-1366	248	16	constant	constant	ADJ
dti-1366	248	17	than	than	ADP
dti-1366	248	18	our	our	PRON
dti-1366	248	19	standard	standard	ADJ
dti-1366	248	20	ligands	ligand	NOUN
dti-1366	248	21	(	(	PUNCT
dti-1366	248	22	sah	sah	PROPN
dti-1366	248	23	,	,	PUNCT
dti-1366	248	24	sam	sam	PROPN
dti-1366	248	25	,	,	PUNCT
dti-1366	248	26	and	and	CCONJ
dti-1366	248	27	ctwyc	ctwyc	PROPN
dti-1366	248	28	)	)	PUNCT
dti-1366	248	29	.	.	PUNCT
dti-1366	249	1	furthermore	furthermore	ADV
dti-1366	249	2	,	,	PUNCT
dti-1366	249	3	this	this	DET
dti-1366	249	4	ligand	ligand	NOUN
dti-1366	249	5	also	also	ADV
dti-1366	249	6	has	have	VERB
dti-1366	249	7	good	good	ADJ
dti-1366	249	8	adme	adme	NOUN
dti-1366	249	9	-	-	PUNCT
dti-1366	249	10	tox	tox	NOUN
dti-1366	249	11	properties	property	NOUN
dti-1366	249	12	,	,	PUNCT
dti-1366	249	13	such	such	ADJ
dti-1366	249	14	as	as	ADP
dti-1366	249	15	low	low	ADJ
dti-1366	249	16	health	health	NOUN
dti-1366	249	17	risk	risk	NOUN
dti-1366	249	18	effect	effect	NOUN
dti-1366	249	19	,	,	PUNCT
dti-1366	249	20	no	no	DET
dti-1366	249	21	carcinogenicity	carcinogenicity	NOUN
dti-1366	249	22	and	and	CCONJ
dti-1366	249	23	mutagenicity	mutagenicity	NOUN
dti-1366	249	24	risk	risk	NOUN
dti-1366	249	25	,	,	PUNCT
dti-1366	249	26	and	and	CCONJ
dti-1366	249	27	good	good	ADJ
dti-1366	249	28	drug	drug	NOUN
dti-1366	249	29	-	-	PUNCT
dti-1366	249	30	like	like	ADJ
dti-1366	249	31	properties	property	NOUN
dti-1366	249	32	,	,	PUNCT
dti-1366	249	33	from	from	ADP
dti-1366	249	34	the	the	DET
dti-1366	249	35	computational	computational	ADJ
dti-1366	249	36	adme	adme	NOUN
dti-1366	249	37	-	-	PUNCT
dti-1366	249	38	tox	tox	NOUN
dti-1366	249	39	results	result	NOUN
dti-1366	249	40	.	.	PUNCT
dti-1366	250	1	the	the	DET
dti-1366	250	2	molecular	molecular	ADJ
dti-1366	250	3	dynamics	dynamic	NOUN
dti-1366	250	4	results	result	NOUN
dti-1366	250	5	also	also	ADV
dti-1366	250	6	confirmed	confirm	VERB
dti-1366	250	7	that	that	SCONJ
dti-1366	250	8	sah	sah	NOUN
dti-1366	250	9	-	-	PUNCT
dti-1366	250	10	m1356	m1356	NOUN
dti-1366	250	11	ligand	ligand	NOUN
dti-1366	250	12	has	have	VERB
dti-1366	250	13	stable	stable	ADJ
dti-1366	250	14	molecular	molecular	ADJ
dti-1366	250	15	interaction	interaction	NOUN
dti-1366	250	16	and	and	CCONJ
dti-1366	250	17	rmsd	rmsd	VERB
dti-1366	250	18	score	score	NOUN
dti-1366	250	19	and	and	CCONJ
dti-1366	250	20	indicated	indicate	VERB
dti-1366	250	21	that	that	SCONJ
dti-1366	250	22	the	the	DET
dti-1366	250	23	sah	sah	NOUN
dti-1366	250	24	-	-	PUNCT
dti-1366	250	25	m1356	m1356	NOUN
dti-1366	250	26	and	and	CCONJ
dti-1366	250	27	ns5	ns5	NOUN
dti-1366	250	28	methyltransferase	methyltransferase	NOUN
dti-1366	250	29	complex	complex	NOUN
dti-1366	250	30	can	can	AUX
dti-1366	250	31	be	be	AUX
dti-1366	250	32	likely	likely	ADV
dti-1366	250	33	formed	form	VERB
dti-1366	250	34	.	.	PUNCT
dti-1366	251	1	therefore	therefore	ADV
dti-1366	251	2	,	,	PUNCT
dti-1366	251	3	to	to	PART
dti-1366	251	4	prove	prove	VERB
dti-1366	251	5	the	the	DET
dti-1366	251	6	computational	computational	ADJ
dti-1366	251	7	results	result	NOUN
dti-1366	251	8	from	from	ADP
dti-1366	251	9	our	our	PRON
dti-1366	251	10	research	research	NOUN
dti-1366	251	11	,	,	PUNCT
dti-1366	251	12	we	we	PRON
dti-1366	251	13	highly	highly	ADV
dti-1366	251	14	recommended	recommend	VERB
dti-1366	251	15	synthesizing	synthesize	VERB
dti-1366	251	16	this	this	DET
dti-1366	251	17	compound	compound	NOUN
dti-1366	251	18	to	to	PART
dti-1366	251	19	further	far	ADV
dti-1366	251	20	determine	determine	VERB
dti-1366	251	21	its	its	PRON
dti-1366	251	22	bioactivity	bioactivity	NOUN
dti-1366	251	23	and	and	CCONJ
dti-1366	251	24	inhibitory	inhibitory	ADJ
dti-1366	251	25	activity	activity	NOUN
dti-1366	251	26	against	against	ADP
dti-1366	251	27	denv	denv	NOUN
dti-1366	251	28	infection	infection	NOUN
dti-1366	251	29	by	by	ADP
dti-1366	251	30	wet	wet	ADJ
dti-1366	251	31	lab	lab	NOUN
dti-1366	251	32	experiments	experiment	NOUN
dti-1366	251	33	.	.	PUNCT
dti-1366	252	1	acknowledgements	acknowledgement	NOUN
dti-1366	252	2	the	the	DET
dti-1366	252	3	authors	author	NOUN
dti-1366	252	4	would	would	AUX
dti-1366	252	5	like	like	VERB
dti-1366	252	6	to	to	PART
dti-1366	252	7	thank	thank	VERB
dti-1366	252	8	ratih	ratih	PROPN
dti-1366	252	9	dyah	dyah	PROPN
dti-1366	252	10	puspitasari	puspitasari	PROPN
dti-1366	252	11	for	for	ADP
dti-1366	252	12	helping	help	VERB
dti-1366	252	13	us	we	PRON
dti-1366	252	14	to	to	PART
dti-1366	252	15	proofread	proofread	VERB
dti-1366	252	16	the	the	DET
dti-1366	252	17	final	final	ADJ
dti-1366	252	18	manuscript	manuscript	NOUN
dti-1366	252	19	.	.	PUNCT
dti-1366	253	1	author	author	NOUN
dti-1366	253	2	contributions	contribution	NOUN
dti-1366	253	3	usft	usft	ADJ
dti-1366	253	4	and	and	CCONJ
dti-1366	253	5	aap	aap	PROPN
dti-1366	253	6	designed	design	VERB
dti-1366	253	7	the	the	DET
dti-1366	253	8	whole	whole	ADJ
dti-1366	253	9	study	study	NOUN
dti-1366	253	10	and	and	CCONJ
dti-1366	253	11	supervised	supervise	VERB
dti-1366	253	12	this	this	DET
dti-1366	253	13	research	research	NOUN
dti-1366	253	14	.	.	PUNCT
dti-1366	254	1	dk	dk	PROPN
dti-1366	254	2	and	and	CCONJ
dti-1366	254	3	si	si	PROPN
dti-1366	254	4	created	create	VERB
dti-1366	254	5	the	the	DET
dti-1366	254	6	general	general	ADJ
dti-1366	254	7	pipeline	pipeline	NOUN
dti-1366	254	8	of	of	ADP
dti-1366	254	9	this	this	DET
dti-1366	254	10	study	study	NOUN
dti-1366	254	11	and	and	CCONJ
dti-1366	254	12	gave	give	VERB
dti-1366	254	13	more	more	ADV
dti-1366	254	14	relevant	relevant	ADJ
dti-1366	254	15	materials	material	NOUN
dti-1366	254	16	for	for	ADP
dti-1366	254	17	the	the	DET
dti-1366	254	18	paper	paper	NOUN
dti-1366	254	19	.	.	PUNCT
dti-1366	255	1	mafn	mafn	NOUN
dti-1366	255	2	and	and	CCONJ
dti-1366	255	3	ept	ept	PROPN
dti-1366	255	4	helped	help	VERB
dti-1366	255	5	in	in	ADP
dti-1366	255	6	writing	write	VERB
dti-1366	255	7	the	the	DET
dti-1366	255	8	paper	paper	NOUN
dti-1366	255	9	.	.	PUNCT
dti-1366	256	1	fa	fa	PROPN
dti-1366	256	2	conducted	conduct	VERB
dti-1366	256	3	the	the	DET
dti-1366	256	4	technical	technical	ADJ
dti-1366	256	5	and	and	CCONJ
dti-1366	256	6	experimental	experimental	ADJ
dti-1366	256	7	details	detail	NOUN
dti-1366	256	8	.	.	PUNCT
dti-1366	257	1	all	all	DET
dti-1366	257	2	authors	author	NOUN
dti-1366	257	3	approved	approve	VERB
dti-1366	257	4	the	the	DET
dti-1366	257	5	final	final	ADJ
dti-1366	257	6	manuscript	manuscript	NOUN
dti-1366	257	7	.	.	PUNCT
dti-1366	258	1	references	reference	NOUN
dti-1366	258	2	1	1	NUM
dti-1366	258	3	.	.	PUNCT
dti-1366	258	4	world	world	PROPN
dti-1366	258	5	health	health	PROPN
dti-1366	258	6	organization	organization	NOUN
dti-1366	258	7	(	(	PUNCT
dti-1366	258	8	who	who	PRON
dti-1366	258	9	)	)	PUNCT
dti-1366	258	10	and	and	CCONJ
dti-1366	258	11	the	the	DET
dti-1366	258	12	special	special	ADJ
dti-1366	258	13	programme	programme	NOUN
dti-1366	258	14	for	for	ADP
dti-1366	258	15	research	research	NOUN
dti-1366	258	16	and	and	CCONJ
dti-1366	258	17	training	training	NOUN
dti-1366	258	18	in	in	ADP
dti-1366	258	19	tropical	tropical	ADJ
dti-1366	258	20	diseases	disease	NOUN
dti-1366	258	21	(	(	PUNCT
dti-1366	258	22	tdr	tdr	PROPN
dti-1366	258	23	)	)	PUNCT
dti-1366	258	24	.	.	PUNCT
dti-1366	259	1	dengue	dengue	NOUN
dti-1366	259	2	:	:	PUNCT
dti-1366	259	3	guidelines	guideline	NOUN
dti-1366	259	4	for	for	ADP
dti-1366	259	5	diagnosis	diagnosis	NOUN
dti-1366	259	6	,	,	PUNCT
dti-1366	259	7	treatment	treatment	NOUN
dti-1366	259	8	,	,	PUNCT
dti-1366	259	9	prevention	prevention	NOUN
dti-1366	259	10	,	,	PUNCT
dti-1366	259	11	and	and	CCONJ
dti-1366	259	12	control	control	NOUN
dti-1366	259	13	.	.	PUNCT
dti-1366	260	1	2009:147	2009:147	NUM
dti-1366	260	2	.	.	PUNCT
dti-1366	261	1	2	2	X
dti-1366	261	2	.	.	X
dti-1366	261	3	world	world	PROPN
dti-1366	261	4	health	health	PROPN
dti-1366	261	5	organization	organization	NOUN
dti-1366	261	6	(	(	PUNCT
dti-1366	261	7	who	who	PRON
dti-1366	261	8	)	)	PUNCT
dti-1366	261	9	.	.	PUNCT
dti-1366	262	1	fact	fact	NOUN
dti-1366	262	2	sheet	sheet	NOUN
dti-1366	262	3	:	:	PUNCT
dti-1366	262	4	dengue	dengue	NOUN
dti-1366	262	5	and	and	CCONJ
dti-1366	262	6	severe	severe	ADJ
dti-1366	262	7	dengue	dengue	NOUN
dti-1366	262	8	.	.	PUNCT
dti-1366	263	1	january	january	PROPN
dti-1366	263	2	2012:1–4	2012:1–4	NUM
dti-1366	263	3	.	.	PROPN
dti-1366	264	1	3	3	X
dti-1366	264	2	.	.	X
dti-1366	264	3	guzman	guzman	PROPN
dti-1366	264	4	mg	mg	PROPN
dti-1366	264	5	,	,	PUNCT
dti-1366	264	6	halstead	halstead	PROPN
dti-1366	264	7	sb	sb	PROPN
dti-1366	264	8	,	,	PUNCT
dti-1366	264	9	artsob	artsob	NOUN
dti-1366	264	10	h	h	PROPN
dti-1366	264	11	,	,	PUNCT
dti-1366	264	12	et	et	PROPN
dti-1366	264	13	al	al	PROPN
dti-1366	264	14	.	.	PUNCT
dti-1366	265	1	dengue	dengue	PROPN
dti-1366	265	2	:	:	PUNCT
dti-1366	265	3	a	a	DET
dti-1366	265	4	continuing	continue	VERB
dti-1366	265	5	global	global	ADJ
dti-1366	265	6	threat	threat	NOUN
dti-1366	265	7	.	.	PUNCT
dti-1366	266	1	nat	nat	PROPN
dti-1366	266	2	rev	rev	PROPN
dti-1366	266	3	microbiol	microbiol	PROPN
dti-1366	266	4	.	.	PUNCT
dti-1366	267	1	2010;8	2010;8	NUM
dti-1366	267	2	:	:	PUNCT
dti-1366	267	3	s7	s7	NOUN
dti-1366	267	4	–	–	PUNCT
dti-1366	267	5	s16	s16	NOUN
dti-1366	267	6	.	.	PUNCT
dti-1366	268	1	4	4	NUM
dti-1366	268	2	.	.	X
dti-1366	268	3	tomlinson	tomlinson	PROPN
dti-1366	268	4	sm	sm	PROPN
dti-1366	268	5	,	,	PUNCT
dti-1366	268	6	malmstrom	malmstrom	PROPN
dti-1366	268	7	rd	rd	PROPN
dti-1366	268	8	,	,	PUNCT
dti-1366	268	9	watowich	watowich	PROPN
dti-1366	268	10	sj	sj	VERB
dti-1366	268	11	.	.	PUNCT
dti-1366	269	1	new	new	ADJ
dti-1366	269	2	approaches	approach	NOUN
dti-1366	269	3	to	to	ADP
dti-1366	269	4	structurebased	structurebase	VERB
dti-1366	269	5	discovery	discovery	NOUN
dti-1366	269	6	of	of	ADP
dti-1366	269	7	dengue	dengue	NOUN
dti-1366	269	8	protease	protease	NOUN
dti-1366	269	9	inhibitors	inhibitor	NOUN
dti-1366	269	10	.	.	PUNCT
dti-1366	270	1	infect	infect	VERB
dti-1366	270	2	disord	disord	NOUN
dti-1366	270	3	drug	drug	NOUN
dti-1366	270	4	targets	target	NOUN
dti-1366	270	5	.	.	PUNCT
dti-1366	271	1	2009;9:327–343	2009;9:327–343	X
dti-1366	271	2	.	.	NOUN
dti-1366	272	1	5	5	NUM
dti-1366	272	2	.	.	X
dti-1366	273	1	kuno	kuno	PROPN
dti-1366	273	2	g	g	PROPN
dti-1366	273	3	,	,	PUNCT
dti-1366	273	4	chang	chang	PROPN
dti-1366	273	5	g	g	PROPN
dti-1366	273	6	,	,	PUNCT
dti-1366	273	7	tsuchiya	tsuchiya	PROPN
dti-1366	274	1	k	k	X
dti-1366	274	2	,	,	PUNCT
dti-1366	274	3	karabatsos	karabatsos	PROPN
dti-1366	274	4	n	n	CCONJ
dti-1366	274	5	,	,	PUNCT
dti-1366	274	6	cropp	cropp	ADJ
dti-1366	274	7	c.	c.	PROPN
dti-1366	274	8	phylogeny	phylogeny	NOUN
dti-1366	274	9	of	of	ADP
dti-1366	274	10	the	the	DET
dti-1366	274	11	genus	genus	NOUN
dti-1366	274	12	flavivirus	flavivirus	NOUN
dti-1366	274	13	.	.	PUNCT
dti-1366	275	1	j	j	PROPN
dti-1366	275	2	virol	virol	PROPN
dti-1366	275	3	.	.	PUNCT
dti-1366	276	1	1998;72:73–83	1998;72:73–83	NUM
dti-1366	276	2	.	.	X
dti-1366	277	1	6	6	NUM
dti-1366	277	2	.	.	X
dti-1366	277	3	nitsche	nitsche	PROPN
dti-1366	277	4	c	c	PROPN
dti-1366	277	5	,	,	PUNCT
dti-1366	277	6	holloway	holloway	PROPN
dti-1366	277	7	s	s	PROPN
dti-1366	277	8	,	,	PUNCT
dti-1366	277	9	schirmeister	schirmeister	PROPN
dti-1366	277	10	t	t	PROPN
dti-1366	277	11	,	,	PUNCT
dti-1366	277	12	klein	klein	PROPN
dti-1366	277	13	cd	cd	PROPN
dti-1366	277	14	.	.	PUNCT
dti-1366	278	1	biochemistry	biochemistry	PROPN
dti-1366	278	2	and	and	CCONJ
dti-1366	278	3	medicinal	medicinal	ADJ
dti-1366	278	4	chemistry	chemistry	NOUN
dti-1366	278	5	of	of	ADP
dti-1366	278	6	the	the	DET
dti-1366	278	7	dengue	dengue	NOUN
dti-1366	278	8	virus	virus	NOUN
dti-1366	278	9	protease	protease	NOUN
dti-1366	278	10	.	.	PUNCT
dti-1366	279	1	chem	chem	PROPN
dti-1366	279	2	rev	rev	VERB
dti-1366	279	3	.	.	PROPN
dti-1366	279	4	2014;114	2014;114	NUM
dti-1366	279	5	:	:	PUNCT
dti-1366	279	6	11348–11381	11348–11381	NUM
dti-1366	279	7	.	.	PUNCT
dti-1366	280	1	7	7	X
dti-1366	280	2	.	.	X
dti-1366	280	3	mukhopadhyay	mukhopadhyay	PROPN
dti-1366	280	4	s	s	PROPN
dti-1366	280	5	,	,	PUNCT
dti-1366	280	6	kuhn	kuhn	PROPN
dti-1366	280	7	rj	rj	PROPN
dti-1366	280	8	,	,	PUNCT
dti-1366	280	9	rossmann	rossmann	PROPN
dti-1366	281	1	mg	mg	PROPN
dti-1366	281	2	.	.	PUNCT
dti-1366	282	1	a	a	DET
dti-1366	282	2	structural	structural	ADJ
dti-1366	282	3	perspective	perspective	NOUN
dti-1366	282	4	of	of	ADP
dti-1366	282	5	the	the	DET
dti-1366	282	6	flavivirus	flavivirus	PROPN
dti-1366	282	7	life	life	NOUN
dti-1366	282	8	cycle	cycle	NOUN
dti-1366	282	9	.	.	PUNCT
dti-1366	283	1	nat	nat	PROPN
dti-1366	283	2	rev	rev	PROPN
dti-1366	283	3	microbiol	microbiol	PROPN
dti-1366	283	4	.	.	PUNCT
dti-1366	284	1	2005;3:13–22	2005;3:13–22	NUM
dti-1366	284	2	.	.	NOUN
dti-1366	284	3	8	8	NUM
dti-1366	284	4	.	.	PUNCT
dti-1366	284	5	amarilla	amarilla	PROPN
dti-1366	284	6	aa	aa	PROPN
dti-1366	284	7	,	,	PUNCT
dti-1366	284	8	de	de	PROPN
dti-1366	284	9	almeida	almeida	PROPN
dti-1366	284	10	ft	ft	PROPN
dti-1366	284	11	,	,	PUNCT
dti-1366	284	12	jorge	jorge	PROPN
dti-1366	284	13	dm	dm	PROPN
dti-1366	284	14	,	,	PUNCT
dti-1366	284	15	et	et	PROPN
dti-1366	284	16	al	al	PROPN
dti-1366	284	17	.	.	PUNCT
dti-1366	285	1	genetic	genetic	ADJ
dti-1366	285	2	diversity	diversity	NOUN
dti-1366	285	3	of	of	ADP
dti-1366	285	4	the	the	DET
dti-1366	285	5	e	e	NOUN
dti-1366	285	6	protein	protein	NOUN
dti-1366	285	7	of	of	ADP
dti-1366	285	8	dengue	dengue	NOUN
dti-1366	285	9	type	type	NOUN
dti-1366	285	10	3	3	NUM
dti-1366	285	11	virus	virus	NOUN
dti-1366	285	12	.	.	PUNCT
dti-1366	286	1	virol	virol	PROPN
dti-1366	286	2	j.	j.	PROPN
dti-1366	286	3	2009;6:113	2009;6:113	PROPN
dti-1366	286	4	.	.	PUNCT
dti-1366	287	1	9	9	NUM
dti-1366	287	2	.	.	PUNCT
dti-1366	287	3	vazquez	vazquez	PROPN
dti-1366	287	4	y	y	PROPN
dti-1366	287	5	,	,	PUNCT
dti-1366	287	6	pupo	pupo	NOUN
dti-1366	287	7	-	-	PUNCT
dti-1366	287	8	antúnez	antúnez	PROPN
dti-1366	287	9	m	m	PROPN
dti-1366	287	10	,	,	PUNCT
dti-1366	287	11	vazquez	vazquez	PROPN
dti-1366	287	12	sv	sv	PROPN
dti-1366	287	13	,	,	PUNCT
dti-1366	287	14	et	et	PROPN
dti-1366	287	15	al	al	PROPN
dti-1366	287	16	.	.	PUNCT
dti-1366	287	17	monoclonal	monoclonal	NOUN
dti-1366	287	18	antibody	antibody	NOUN
dti-1366	287	19	to	to	ADP
dti-1366	287	20	dengue	dengue	NOUN
dti-1366	287	21	capsid	capsid	PROPN
dti-1366	287	22	protein	protein	NOUN
dti-1366	287	23	:	:	PUNCT
dti-1366	287	24	its	its	PRON
dti-1366	287	25	application	application	NOUN
dti-1366	287	26	in	in	ADP
dti-1366	287	27	dengue	dengue	NOUN
dti-1366	287	28	studies	study	NOUN
dti-1366	287	29	.	.	PUNCT
dti-1366	288	1	mabs	mab	NOUN
dti-1366	288	2	.	.	PUNCT
dti-1366	289	1	2009;1:157–162	2009;1:157–162	NUM
dti-1366	289	2	.	.	PUNCT
dti-1366	290	1	10	10	NUM
dti-1366	290	2	.	.	PUNCT
dti-1366	291	1	mustafa	mustafa	PROPN
dti-1366	291	2	ms	ms	PROPN
dti-1366	291	3	,	,	PUNCT
dti-1366	291	4	rasotgi	rasotgi	NOUN
dti-1366	291	5	v	v	NOUN
dti-1366	291	6	,	,	PUNCT
dti-1366	291	7	jain	jain	PROPN
dti-1366	291	8	s	s	PART
dti-1366	291	9	,	,	PUNCT
dti-1366	291	10	gupta	gupta	PROPN
dti-1366	291	11	v.	v.	ADP
dti-1366	291	12	discovery	discovery	NOUN
dti-1366	291	13	of	of	ADP
dti-1366	291	14	fifth	fifth	ADJ
dti-1366	291	15	serotype	serotype	NOUN
dti-1366	291	16	of	of	ADP
dti-1366	291	17	dengue	dengue	NOUN
dti-1366	291	18	virus	virus	NOUN
dti-1366	291	19	(	(	PUNCT
dti-1366	291	20	denv-5	denv-5	PROPN
dti-1366	291	21	):	):	PUNCT
dti-1366	291	22	a	a	DET
dti-1366	291	23	new	new	ADJ
dti-1366	291	24	public	public	ADJ
dti-1366	291	25	health	health	NOUN
dti-1366	291	26	dilemma	dilemma	NOUN
dti-1366	291	27	in	in	ADP
dti-1366	291	28	dengue	dengue	NOUN
dti-1366	291	29	control	control	PROPN
dti-1366	291	30	.	.	PUNCT
dti-1366	292	1	med	med	PROPN
dti-1366	292	2	j	j	PROPN
dti-1366	292	3	armed	armed	PROPN
dti-1366	292	4	forces	forces	PROPN
dti-1366	292	5	india	india	PROPN
dti-1366	292	6	.	.	PUNCT
dti-1366	292	7	2015;71:67–70	2015;71:67–70	NUM
dti-1366	292	8	.	.	PUNCT
dti-1366	293	1	11	11	NUM
dti-1366	293	2	.	.	X
dti-1366	294	1	khan	khan	PROPN
dti-1366	294	2	am	be	AUX
dti-1366	294	3	,	,	PUNCT
dti-1366	294	4	miotto	miotto	ADJ
dti-1366	294	5	o	o	PROPN
dti-1366	294	6	,	,	PUNCT
dti-1366	294	7	nascimento	nascimento	PROPN
dti-1366	294	8	ejm	ejm	PROPN
dti-1366	294	9	,	,	PUNCT
dti-1366	294	10	et	et	PROPN
dti-1366	294	11	al	al	PROPN
dti-1366	294	12	.	.	PUNCT
dti-1366	294	13	conservation	conservation	NOUN
dti-1366	294	14	and	and	CCONJ
dti-1366	294	15	variability	variability	NOUN
dti-1366	294	16	of	of	ADP
dti-1366	294	17	dengue	dengue	NOUN
dti-1366	294	18	virus	virus	NOUN
dti-1366	294	19	proteins	protein	NOUN
dti-1366	294	20	:	:	PUNCT
dti-1366	294	21	implications	implication	NOUN
dti-1366	294	22	for	for	ADP
dti-1366	294	23	vaccine	vaccine	NOUN
dti-1366	294	24	design	design	NOUN
dti-1366	294	25	.	.	PUNCT
dti-1366	295	1	plos	plos	PROPN
dti-1366	295	2	negl	negl	PROPN
dti-1366	295	3	trop	trop	X
dti-1366	295	4	dis	dis	PROPN
dti-1366	295	5	.	.	PUNCT
dti-1366	296	1	2008;2	2008;2	X
dti-1366	296	2	:	:	PUNCT
dti-1366	296	3	e272	e272	PROPN
dti-1366	296	4	.	.	PROPN
dti-1366	296	5	12	12	NUM
dti-1366	296	6	.	.	PUNCT
dti-1366	297	1	halstead	halstead	PROPN
dti-1366	297	2	sb	sb	PROPN
dti-1366	297	3	.	.	PROPN
dti-1366	297	4	dengue	dengue	PROPN
dti-1366	297	5	virus	virus	PROPN
dti-1366	297	6	-	-	PUNCT
dti-1366	297	7	mosquito	mosquito	ADJ
dti-1366	297	8	interactions	interaction	NOUN
dti-1366	297	9	.	.	PUNCT
dti-1366	298	1	annu	annu	PROPN
dti-1366	298	2	rev	rev	VERB
dti-1366	298	3	entomol	entomol	PROPN
dti-1366	298	4	.	.	PUNCT
dti-1366	299	1	2008;53:273–291	2008;53:273–291	X
dti-1366	299	2	.	.	PUNCT
dti-1366	300	1	13	13	NUM
dti-1366	300	2	.	.	PUNCT
dti-1366	301	1	lim	lim	PROPN
dti-1366	301	2	sp	sp	PROPN
dti-1366	301	3	,	,	PUNCT
dti-1366	301	4	noble	noble	ADJ
dti-1366	301	5	cg	cg	NOUN
dti-1366	301	6	,	,	PUNCT
dti-1366	301	7	shi	shi	PROPN
dti-1366	301	8	p	p	PROPN
dti-1366	301	9	-	-	PROPN
dti-1366	301	10	y.	y.	VERB
dti-1366	301	11	the	the	DET
dti-1366	301	12	dengue	dengue	PROPN
dti-1366	301	13	virus	virus	PROPN
dti-1366	301	14	ns5	ns5	PROPN
dti-1366	301	15	protein	protein	NOUN
dti-1366	301	16	as	as	ADP
dti-1366	301	17	a	a	DET
dti-1366	301	18	target	target	NOUN
dti-1366	301	19	for	for	ADP
dti-1366	301	20	drug	drug	NOUN
dti-1366	301	21	discovery	discovery	NOUN
dti-1366	301	22	.	.	PUNCT
dti-1366	302	1	antiviral	antiviral	ADJ
dti-1366	302	2	res	re	NOUN
dti-1366	302	3	.	.	PUNCT
dti-1366	303	1	2015;119:57–67	2015;119:57–67	NUM
dti-1366	303	2	.	.	NOUN
dti-1366	303	3	14	14	NUM
dti-1366	303	4	.	.	PUNCT
dti-1366	304	1	perera	perera	PROPN
dti-1366	304	2	r	r	PROPN
dti-1366	304	3	,	,	PUNCT
dti-1366	304	4	kuhn	kuhn	PROPN
dti-1366	304	5	rj	rj	PROPN
dti-1366	304	6	.	.	PUNCT
dti-1366	305	1	structural	structural	ADJ
dti-1366	305	2	proteomics	proteomic	NOUN
dti-1366	305	3	of	of	ADP
dti-1366	305	4	dengue	dengue	NOUN
dti-1366	305	5	virus	virus	NOUN
dti-1366	305	6	.	.	PUNCT
dti-1366	306	1	curr	curr	PROPN
dti-1366	306	2	opin	opin	PROPN
dti-1366	306	3	microbiol	microbiol	PROPN
dti-1366	306	4	.	.	PUNCT
dti-1366	307	1	2008;11:369–377	2008;11:369–377	X
dti-1366	307	2	.	.	PUNCT
dti-1366	308	1	15	15	NUM
dti-1366	308	2	.	.	PUNCT
dti-1366	309	1	dong	dong	PROPN
dti-1366	309	2	h	h	PROPN
dti-1366	309	3	,	,	PUNCT
dti-1366	309	4	zhang	zhang	PROPN
dti-1366	309	5	b	b	PROPN
dti-1366	309	6	,	,	PUNCT
dti-1366	309	7	shi	shi	PROPN
dti-1366	309	8	py	py	PROPN
dti-1366	309	9	.	.	PUNCT
dti-1366	310	1	flavivirus	flavivirus	PROPN
dti-1366	310	2	methyltransferase	methyltransferase	PROPN
dti-1366	310	3	:	:	PUNCT
dti-1366	310	4	a	a	DET
dti-1366	310	5	novel	novel	ADJ
dti-1366	310	6	antiviral	antiviral	ADJ
dti-1366	310	7	target	target	NOUN
dti-1366	310	8	.	.	PUNCT
dti-1366	311	1	antiviral	antiviral	ADJ
dti-1366	311	2	res	re	NOUN
dti-1366	311	3	.	.	PUNCT
dti-1366	312	1	2008;80:1–10	2008;80:1–10	NUM
dti-1366	312	2	.	.	PUNCT
dti-1366	313	1	16	16	NUM
dti-1366	313	2	.	.	PUNCT
dti-1366	314	1	noble	noble	ADJ
dti-1366	314	2	cg	cg	PROPN
dti-1366	314	3	,	,	PUNCT
dti-1366	314	4	chen	chen	PROPN
dti-1366	314	5	yl	yl	PROPN
dti-1366	314	6	,	,	PUNCT
dti-1366	314	7	dong	dong	PROPN
dti-1366	314	8	h	h	PROPN
dti-1366	314	9	,	,	PUNCT
dti-1366	314	10	et	et	PROPN
dti-1366	314	11	al	al	PROPN
dti-1366	314	12	.	.	PUNCT
dti-1366	314	13	strategies	strategy	NOUN
dti-1366	314	14	for	for	ADP
dti-1366	314	15	development	development	NOUN
dti-1366	314	16	of	of	ADP
dti-1366	314	17	dengue	dengue	NOUN
dti-1366	314	18	virus	virus	NOUN
dti-1366	314	19	inhibitors	inhibitor	NOUN
dti-1366	314	20	.	.	PUNCT
dti-1366	315	1	antiviral	antiviral	ADJ
dti-1366	315	2	res	re	NOUN
dti-1366	315	3	.	.	PUNCT
dti-1366	316	1	2010;85:450–462	2010;85:450–462	NOUN
dti-1366	316	2	.	.	PUNCT
dti-1366	317	1	17	17	NUM
dti-1366	317	2	.	.	PUNCT
dti-1366	318	1	podvinec	podvinec	NOUN
dti-1366	318	2	m	m	PROPN
dti-1366	318	3	,	,	PUNCT
dti-1366	318	4	lim	lim	PROPN
dti-1366	318	5	sp	sp	PROPN
dti-1366	318	6	,	,	PUNCT
dti-1366	318	7	schmidt	schmidt	PROPN
dti-1366	318	8	t	t	PROPN
dti-1366	318	9	,	,	PUNCT
dti-1366	318	10	et	et	PROPN
dti-1366	318	11	al	al	PROPN
dti-1366	318	12	.	.	PROPN
dti-1366	318	13	novel	novel	ADJ
dti-1366	318	14	inhibitors	inhibitor	NOUN
dti-1366	318	15	of	of	ADP
dti-1366	318	16	dengue	dengue	NOUN
dti-1366	318	17	virus	virus	NOUN
dti-1366	318	18	methyltransferase	methyltransferase	NOUN
dti-1366	318	19	:	:	PUNCT
dti-1366	318	20	discovery	discovery	NOUN
dti-1366	318	21	by	by	ADP
dti-1366	318	22	in	in	ADP
dti-1366	318	23	vitro	vitro	X
dti-1366	318	24	-	-	PUNCT
dti-1366	318	25	driven	drive	VERB
dti-1366	318	26	virtual	virtual	ADJ
dti-1366	318	27	screening	screening	NOUN
dti-1366	318	28	on	on	ADP
dti-1366	318	29	a	a	DET
dti-1366	318	30	desktop	desktop	NOUN
dti-1366	318	31	computer	computer	NOUN
dti-1366	318	32	grid	grid	NOUN
dti-1366	318	33	.	.	PUNCT
dti-1366	319	1	j	j	PROPN
dti-1366	319	2	med	med	PROPN
dti-1366	319	3	chem	chem	NOUN
dti-1366	319	4	.	.	PUNCT
dti-1366	320	1	2010;53:1483–1495	2010;53:1483–1495	NOUN
dti-1366	320	2	.	.	PUNCT
dti-1366	321	1	18	18	NUM
dti-1366	321	2	.	.	PUNCT
dti-1366	322	1	dong	dong	PROPN
dti-1366	322	2	h	h	PROPN
dti-1366	322	3	,	,	PUNCT
dti-1366	322	4	chang	chang	PROPN
dti-1366	322	5	dc	dc	PROPN
dti-1366	322	6	,	,	PUNCT
dti-1366	322	7	xie	xie	PROPN
dti-1366	322	8	x	x	PROPN
dti-1366	322	9	,	,	PUNCT
dti-1366	322	10	et	et	PROPN
dti-1366	322	11	al	al	PROPN
dti-1366	322	12	.	.	PROPN
dti-1366	323	1	biochemical	biochemical	ADJ
dti-1366	323	2	and	and	CCONJ
dti-1366	323	3	genetic	genetic	ADJ
dti-1366	323	4	characterization	characterization	NOUN
dti-1366	323	5	of	of	ADP
dti-1366	323	6	dengue	dengue	NOUN
dti-1366	323	7	virus	virus	NOUN
dti-1366	323	8	methyltransferase	methyltransferase	NOUN
dti-1366	323	9	.	.	PUNCT
dti-1366	324	1	virology	virology	NOUN
dti-1366	324	2	.	.	PUNCT
dti-1366	325	1	2010;405:568–578	2010;405:568–578	NUM
dti-1366	325	2	.	.	PUNCT
dti-1366	326	1	19	19	NUM
dti-1366	326	2	.	.	PUNCT
dti-1366	326	3	schneider	schneider	PROPN
dti-1366	326	4	g	g	PROPN
dti-1366	326	5	,	,	PUNCT
dti-1366	326	6	fechner	fechner	PROPN
dti-1366	326	7	u.	u.	PROPN
dti-1366	326	8	computer	computer	NOUN
dti-1366	326	9	-	-	PUNCT
dti-1366	326	10	based	base	VERB
dti-1366	326	11	de	de	X
dti-1366	326	12	novo	novo	NOUN
dti-1366	326	13	design	design	NOUN
dti-1366	326	14	of	of	ADP
dti-1366	326	15	drug	drug	NOUN
dti-1366	326	16	-	-	PUNCT
dti-1366	326	17	like	like	ADJ
dti-1366	326	18	molecules	molecule	NOUN
dti-1366	326	19	.	.	PUNCT
dti-1366	327	1	nat	nat	PROPN
dti-1366	327	2	rev	rev	VERB
dti-1366	327	3	drug	drug	NOUN
dti-1366	327	4	discov	discov	NOUN
dti-1366	327	5	.	.	PUNCT
dti-1366	328	1	2005;4:649–663	2005;4:649–663	NUM
dti-1366	328	2	.	.	NOUN
dti-1366	328	3	20	20	NUM
dti-1366	328	4	.	.	PUNCT
dti-1366	329	1	kapetanovic	kapetanovic	PROPN
dti-1366	329	2	i	i	PRON
dti-1366	329	3	m.	m.	NOUN
dti-1366	329	4	computer	computer	NOUN
dti-1366	329	5	-	-	PUNCT
dti-1366	329	6	aided	aid	VERB
dti-1366	329	7	drug	drug	NOUN
dti-1366	329	8	discovery	discovery	NOUN
dti-1366	329	9	and	and	CCONJ
dti-1366	329	10	development	development	NOUN
dti-1366	329	11	(	(	PUNCT
dti-1366	329	12	caddd	caddd	PROPN
dti-1366	329	13	):	):	PUNCT
dti-1366	329	14	in	in	ADP
dti-1366	329	15	silico	silico	NOUN
dti-1366	329	16	-	-	PUNCT
dti-1366	329	17	chemico	chemico	NOUN
dti-1366	329	18	-	-	ADJ
dti-1366	329	19	biological	biological	ADJ
dti-1366	329	20	approach	approach	NOUN
dti-1366	329	21	.	.	PUNCT
dti-1366	330	1	chem	chem	NOUN
dti-1366	330	2	biol	biol	PROPN
dti-1366	330	3	interact	interact	VERB
dti-1366	330	4	.	.	PUNCT
dti-1366	331	1	2008;171:165–176	2008;171:165–176	NOUN
dti-1366	331	2	.	.	PUNCT
dti-1366	332	1	21	21	NUM
dti-1366	332	2	.	.	PUNCT
dti-1366	333	1	patrick	patrick	PROPN
dti-1366	333	2	gl	gl	PROPN
dti-1366	333	3	.	.	PROPN
dti-1366	333	4	introduction	introduction	NOUN
dti-1366	333	5	of	of	ADP
dti-1366	333	6	medicinal	medicinal	ADJ
dti-1366	333	7	chemistry	chemistry	NOUN
dti-1366	333	8	.	.	PUNCT
dti-1366	334	1	5th	5th	ADJ
dti-1366	334	2	ed	ed	NOUN
dti-1366	334	3	.	.	PUNCT
dti-1366	335	1	oxford	oxford	PROPN
dti-1366	335	2	,	,	PUNCT
dti-1366	335	3	uk	uk	PROPN
dti-1366	335	4	:	:	PUNCT
dti-1366	335	5	oxford	oxford	PROPN
dti-1366	335	6	university	university	PROPN
dti-1366	335	7	press	press	NOUN
dti-1366	335	8	;	;	PUNCT
dti-1366	335	9	2013	2013	NUM
dti-1366	335	10	.	.	PUNCT
dti-1366	336	1	22	22	NUM
dti-1366	336	2	.	.	PUNCT
dti-1366	337	1	kitchen	kitchen	PROPN
dti-1366	337	2	db	db	PROPN
dti-1366	337	3	,	,	PUNCT
dti-1366	337	4	decornez	decornez	PROPN
dti-1366	337	5	h	h	NOUN
dti-1366	337	6	,	,	PUNCT
dti-1366	337	7	furr	furr	PROPN
dti-1366	337	8	jr	jr	PROPN
dti-1366	337	9	,	,	PUNCT
dti-1366	337	10	bajorath	bajorath	PROPN
dti-1366	337	11	j.	j.	PROPN
dti-1366	337	12	docking	docking	PROPN
dti-1366	337	13	and	and	CCONJ
dti-1366	337	14	scoring	scoring	NOUN
dti-1366	337	15	in	in	ADP
dti-1366	337	16	virtual	virtual	ADJ
dti-1366	337	17	screening	screening	NOUN
dti-1366	337	18	for	for	ADP
dti-1366	337	19	drug	drug	NOUN
dti-1366	337	20	discovery	discovery	NOUN
dti-1366	337	21	:	:	PUNCT
dti-1366	337	22	methods	method	NOUN
dti-1366	337	23	and	and	CCONJ
dti-1366	337	24	applications	application	NOUN
dti-1366	337	25	.	.	PUNCT
dti-1366	338	1	nat	nat	PROPN
dti-1366	338	2	rev	rev	VERB
dti-1366	338	3	drug	drug	NOUN
dti-1366	338	4	discov	discov	NOUN
dti-1366	338	5	.	.	PUNCT
dti-1366	339	1	2004;3:935–949	2004;3:935–949	NUM
dti-1366	339	2	.	.	PUNCT
dti-1366	340	1	23	23	NUM
dti-1366	340	2	.	.	PUNCT
dti-1366	341	1	kolb	kolb	PROPN
dti-1366	341	2	p	p	PROPN
dti-1366	341	3	,	,	PUNCT
dti-1366	341	4	ferreira	ferreira	PROPN
dti-1366	341	5	rs	rs	PROPN
dti-1366	341	6	,	,	PUNCT
dti-1366	341	7	irwin	irwin	PROPN
dti-1366	341	8	jj	jj	PROPN
dti-1366	341	9	,	,	PUNCT
dti-1366	341	10	shoichet	shoichet	NOUN
dti-1366	341	11	bk	bk	VERB
dti-1366	341	12	.	.	PUNCT
dti-1366	342	1	docking	docking	NOUN
dti-1366	342	2	and	and	CCONJ
dti-1366	342	3	chemoinformatic	chemoinformatic	ADJ
dti-1366	342	4	screens	screen	NOUN
dti-1366	342	5	for	for	ADP
dti-1366	342	6	new	new	ADJ
dti-1366	342	7	ligands	ligand	NOUN
dti-1366	342	8	and	and	CCONJ
dti-1366	342	9	targets	target	NOUN
dti-1366	342	10	.	.	PUNCT
dti-1366	343	1	curr	curr	PROPN
dti-1366	343	2	opin	opin	PROPN
dti-1366	343	3	biotechnol	biotechnol	NOUN
dti-1366	343	4	.	.	PUNCT
dti-1366	344	1	2009;20:429–436	2009;20:429–436	NUM
dti-1366	344	2	.	.	PUNCT
dti-1366	345	1	24	24	NUM
dti-1366	345	2	.	.	PUNCT
dti-1366	345	3	walker	walker	PROPN
dti-1366	345	4	sd	sd	PROPN
dti-1366	345	5	,	,	PUNCT
dti-1366	345	6	mceldowney	mceldowney	NOUN
dti-1366	345	7	s.	s.	PROPN
dti-1366	345	8	molecular	molecular	ADJ
dti-1366	345	9	docking	docking	NOUN
dti-1366	345	10	:	:	PUNCT
dti-1366	345	11	a	a	DET
dti-1366	345	12	potential	potential	ADJ
dti-1366	345	13	tool	tool	NOUN
dti-1366	345	14	to	to	PART
dti-1366	345	15	aid	aid	VERB
dti-1366	345	16	ecotoxicity	ecotoxicity	NOUN
dti-1366	345	17	testing	testing	NOUN
dti-1366	345	18	in	in	ADP
dti-1366	345	19	environmental	environmental	ADJ
dti-1366	345	20	risk	risk	NOUN
dti-1366	345	21	assessment	assessment	NOUN
dti-1366	345	22	of	of	ADP
dti-1366	345	23	pharmaceuticals	pharmaceutical	NOUN
dti-1366	345	24	.	.	PUNCT
dti-1366	346	1	chemosphere	chemosphere	PROPN
dti-1366	346	2	.	.	PUNCT
dti-1366	347	1	2013;93:2568–2577	2013;93:2568–2577	INTJ
dti-1366	347	2	.	.	PUNCT
dti-1366	348	1	25	25	NUM
dti-1366	348	2	.	.	PUNCT
dti-1366	348	3	alonso	alonso	PROPN
dti-1366	348	4	h	h	PROPN
dti-1366	348	5	,	,	PUNCT
dti-1366	348	6	bliznyuk	bliznyuk	PROPN
dti-1366	348	7	aa	aa	PROPN
dti-1366	348	8	,	,	PUNCT
dti-1366	348	9	gready	gready	PROPN
dti-1366	348	10	je	je	PROPN
dti-1366	348	11	.	.	PUNCT
dti-1366	348	12	combining	combine	VERB
dti-1366	348	13	docking	docking	NOUN
dti-1366	348	14	and	and	CCONJ
dti-1366	348	15	molecular	molecular	ADJ
dti-1366	348	16	dynamic	dynamic	ADJ
dti-1366	348	17	simulations	simulation	NOUN
dti-1366	348	18	in	in	ADP
dti-1366	348	19	drug	drug	NOUN
dti-1366	348	20	design	design	NOUN
dti-1366	348	21	.	.	PUNCT
dti-1366	349	1	med	med	PROPN
dti-1366	349	2	res	res	PROPN
dti-1366	349	3	rev	rev	PROPN
dti-1366	349	4	.	.	PROPN
dti-1366	349	5	2006;26:531–568	2006;26:531–568	PROPN
dti-1366	349	6	.	.	PUNCT
dti-1366	350	1	26	26	NUM
dti-1366	350	2	.	.	PUNCT
dti-1366	351	1	zhao	zhao	PROPN
dti-1366	351	2	h	h	PROPN
dti-1366	351	3	,	,	PUNCT
dti-1366	351	4	caflisch	caflisch	ADJ
dti-1366	351	5	a.	a.	NOUN
dti-1366	351	6	molecular	molecular	ADJ
dti-1366	351	7	dynamics	dynamic	NOUN
dti-1366	351	8	in	in	ADP
dti-1366	351	9	drug	drug	NOUN
dti-1366	351	10	design	design	NOUN
dti-1366	351	11	.	.	PUNCT
dti-1366	352	1	eur	eur	PROPN
dti-1366	352	2	j	j	PROPN
dti-1366	352	3	med	med	PROPN
dti-1366	352	4	chem	chem	NOUN
dti-1366	352	5	.	.	PUNCT
dti-1366	353	1	2014;91:4–14	2014;91:4–14	NUM
dti-1366	353	2	.	.	PUNCT
dti-1366	354	1	27	27	NUM
dti-1366	354	2	.	.	PUNCT
dti-1366	355	1	chung	chung	PROPN
dti-1366	355	2	ky	ky	PROPN
dti-1366	355	3	,	,	PUNCT
dti-1366	355	4	dong	dong	PROPN
dti-1366	355	5	h	h	PROPN
dti-1366	355	6	,	,	PUNCT
dti-1366	355	7	chao	chao	PROPN
dti-1366	355	8	at	at	ADP
dti-1366	355	9	,	,	PUNCT
dti-1366	355	10	shi	shi	PROPN
dti-1366	355	11	py	py	PROPN
dti-1366	355	12	,	,	PUNCT
dti-1366	355	13	lescar	lescar	PROPN
dti-1366	355	14	j	j	PROPN
dti-1366	355	15	,	,	PUNCT
dti-1366	355	16	lim	lim	PROPN
dti-1366	355	17	sp	sp	PROPN
dti-1366	355	18	.	.	PROPN
dti-1366	355	19	higher	high	ADJ
dti-1366	355	20	catalytic	catalytic	ADJ
dti-1366	355	21	efficiency	efficiency	NOUN
dti-1366	355	22	of	of	ADP
dti-1366	355	23	n-7	n-7	PROPN
dti-1366	355	24	-	-	PUNCT
dti-1366	355	25	methylation	methylation	NOUN
dti-1366	355	26	is	be	AUX
dti-1366	355	27	responsible	responsible	ADJ
dti-1366	355	28	for	for	ADP
dti-1366	355	29	processive	processive	ADJ
dti-1366	355	30	n-7	n-7	PROPN
dti-1366	355	31	and	and	CCONJ
dti-1366	355	32	2′-o	2′-o	NUM
dti-1366	355	33	methyltransferase	methyltransferase	NOUN
dti-1366	355	34	activity	activity	NOUN
dti-1366	355	35	in	in	ADP
dti-1366	355	36	dengue	dengue	NOUN
dti-1366	355	37	virus	virus	NOUN
dti-1366	355	38	.	.	PUNCT
dti-1366	356	1	virology	virology	NOUN
dti-1366	356	2	.	.	PUNCT
dti-1366	357	1	2010;402:52–60	2010;402:52–60	NUM
dti-1366	357	2	.	.	PROPN
dti-1366	357	3	28	28	NUM
dti-1366	357	4	.	.	PUNCT
dti-1366	358	1	lim	lim	PROPN
dti-1366	358	2	sp	sp	PROPN
dti-1366	358	3	,	,	PUNCT
dti-1366	358	4	sonntag	sonntag	NOUN
dti-1366	358	5	ls	ls	PROPN
dti-1366	358	6	,	,	PUNCT
dti-1366	358	7	noble	noble	ADJ
dti-1366	358	8	c	c	NOUN
dti-1366	358	9	,	,	PUNCT
dti-1366	358	10	et	et	PROPN
dti-1366	358	11	al	al	PROPN
dti-1366	358	12	.	.	PUNCT
dti-1366	359	1	small	small	ADJ
dti-1366	359	2	molecule	molecule	NOUN
dti-1366	359	3	inhibitors	inhibitor	NOUN
dti-1366	359	4	that	that	PRON
dti-1366	359	5	selectively	selectively	ADV
dti-1366	359	6	block	block	VERB
dti-1366	359	7	dengue	dengue	NOUN
dti-1366	359	8	virus	virus	NOUN
dti-1366	359	9	methyltransferase	methyltransferase	NOUN
dti-1366	359	10	.	.	PUNCT
dti-1366	360	1	j	j	PROPN
dti-1366	360	2	biol	biol	PROPN
dti-1366	360	3	chem	chem	NOUN
dti-1366	360	4	.	.	PUNCT
dti-1366	361	1	2011;286:6233–6240	2011;286:6233–6240	NUM
dti-1366	361	2	.	.	PUNCT
dti-1366	362	1	29	29	NUM
dti-1366	362	2	.	.	PUNCT
dti-1366	363	1	stahla	stahla	NOUN
dti-1366	363	2	-	-	PUNCT
dti-1366	363	3	beek	beek	PROPN
dti-1366	363	4	hj	hj	PROPN
dti-1366	363	5	,	,	PUNCT
dti-1366	363	6	april	april	PROPN
dti-1366	363	7	dg	dg	PROPN
dti-1366	363	8	,	,	PUNCT
dti-1366	363	9	saeedi	saeedi	NOUN
dti-1366	363	10	bj	bj	ADP
dti-1366	363	11	,	,	PUNCT
dti-1366	363	12	et	et	PROPN
dti-1366	363	13	al	al	PROPN
dti-1366	363	14	.	.	PUNCT
dti-1366	364	1	identification	identification	NOUN
dti-1366	364	2	of	of	ADP
dti-1366	364	3	a	a	DET
dti-1366	364	4	novel	novel	ADJ
dti-1366	364	5	antiviral	antiviral	ADJ
dti-1366	364	6	inhibitor	inhibitor	NOUN
dti-1366	364	7	of	of	ADP
dti-1366	364	8	the	the	DET
dti-1366	364	9	flavivirus	flavivirus	PROPN
dti-1366	364	10	guanylyltransferase	guanylyltransferase	NOUN
dti-1366	364	11	enzyme	enzyme	NOUN
dti-1366	364	12	.	.	PUNCT
dti-1366	365	1	j	j	PROPN
dti-1366	365	2	virol	virol	NOUN
dti-1366	365	3	.	.	PUNCT
dti-1366	366	1	2012;86	2012;86	NUM
dti-1366	366	2	:	:	PUNCT
dti-1366	366	3	8730–8739	8730–8739	NUM
dti-1366	366	4	.	.	NOUN
dti-1366	366	5	14	14	NUM
dti-1366	366	6	drug	drug	NOUN
dti-1366	366	7	target	target	NOUN
dti-1366	366	8	insights	insight	NOUN
dti-1366	366	9	30	30	NUM
dti-1366	366	10	.	.	PUNCT
dti-1366	367	1	tambunan	tambunan	PROPN
dti-1366	367	2	usf	usf	PROPN
dti-1366	367	3	,	,	PUNCT
dti-1366	367	4	zahroh	zahroh	NOUN
dti-1366	367	5	h	h	NOUN
dti-1366	367	6	,	,	PUNCT
dti-1366	367	7	utomo	utomo	ADJ
dti-1366	367	8	bb	bb	PROPN
dti-1366	367	9	,	,	PUNCT
dti-1366	367	10	parikesit	parikesit	NOUN
dti-1366	367	11	aa	aa	NOUN
dti-1366	367	12	.	.	PUNCT
dti-1366	368	1	screening	screen	VERB
dti-1366	368	2	of	of	ADP
dti-1366	368	3	commercial	commercial	ADJ
dti-1366	368	4	cyclic	cyclic	ADJ
dti-1366	368	5	peptide	peptide	NOUN
dti-1366	368	6	as	as	ADP
dti-1366	368	7	inhibitor	inhibitor	NOUN
dti-1366	368	8	ns5	ns5	NOUN
dti-1366	368	9	methyltransferase	methyltransferase	NOUN
dti-1366	368	10	of	of	ADP
dti-1366	368	11	dengue	dengue	NOUN
dti-1366	368	12	virus	virus	NOUN
dti-1366	368	13	through	through	ADP
dti-1366	368	14	molecular	molecular	ADJ
dti-1366	368	15	docking	docking	NOUN
dti-1366	368	16	and	and	CCONJ
dti-1366	368	17	molecular	molecular	ADJ
dti-1366	368	18	dynamics	dynamic	NOUN
dti-1366	368	19	simulation	simulation	NOUN
dti-1366	368	20	.	.	PUNCT
dti-1366	369	1	bioinformation	bioinformation	NOUN
dti-1366	369	2	.	.	PUNCT
dti-1366	370	1	2014;10:23–27	2014;10:23–27	NUM
dti-1366	370	2	.	.	PROPN
dti-1366	371	1	31	31	NUM
dti-1366	371	2	.	.	X
dti-1366	371	3	de	de	PROPN
dti-1366	371	4	sousa	sousa	PROPN
dti-1366	371	5	lrf	lrf	PROPN
dti-1366	371	6	,	,	PUNCT
dti-1366	371	7	wu	wu	PROPN
dti-1366	371	8	h	h	PROPN
dti-1366	371	9	,	,	PUNCT
dti-1366	371	10	nebo	nebo	PROPN
dti-1366	371	11	l	l	PROPN
dti-1366	371	12	,	,	PUNCT
dti-1366	371	13	et	et	PROPN
dti-1366	371	14	al	al	PROPN
dti-1366	371	15	.	.	PUNCT
dti-1366	372	1	flavonoids	flavonoid	NOUN
dti-1366	372	2	as	as	ADP
dti-1366	372	3	noncompetitive	noncompetitive	ADJ
dti-1366	372	4	inhibitors	inhibitor	NOUN
dti-1366	372	5	of	of	ADP
dti-1366	372	6	dengue	dengue	NOUN
dti-1366	372	7	virus	virus	NOUN
dti-1366	372	8	ns2b	ns2b	NOUN
dti-1366	372	9	-	-	PUNCT
dti-1366	372	10	ns3	ns3	NOUN
dti-1366	372	11	protease	protease	NOUN
dti-1366	372	12	:	:	PUNCT
dti-1366	372	13	inhibition	inhibition	NOUN
dti-1366	372	14	kinetics	kinetic	NOUN
dti-1366	372	15	and	and	CCONJ
dti-1366	372	16	docking	dock	VERB
dti-1366	372	17	studies	study	NOUN
dti-1366	372	18	.	.	PUNCT
dti-1366	373	1	bioorganic	bioorganic	PROPN
dti-1366	373	2	med	med	PROPN
dti-1366	373	3	chem	chem	NOUN
dti-1366	373	4	.	.	PUNCT
dti-1366	374	1	2015;23:466–470	2015;23:466–470	NUM
dti-1366	374	2	.	.	PUNCT
dti-1366	375	1	32	32	NUM
dti-1366	375	2	.	.	PUNCT
dti-1366	376	1	hassandarvish	hassandarvish	PROPN
dti-1366	376	2	p	p	X
dti-1366	376	3	,	,	PUNCT
dti-1366	376	4	rothan	rothan	ADJ
dti-1366	376	5	ha	ha	INTJ
dti-1366	376	6	,	,	PUNCT
dti-1366	376	7	rezaei	rezaei	PROPN
dti-1366	376	8	s	s	PROPN
dti-1366	376	9	,	,	PUNCT
dti-1366	376	10	et	et	PROPN
dti-1366	376	11	al	al	PROPN
dti-1366	376	12	.	.	PROPN
dti-1366	377	1	in	in	ADP
dti-1366	377	2	silico	silico	NOUN
dti-1366	377	3	study	study	NOUN
dti-1366	377	4	on	on	ADP
dti-1366	377	5	baicalein	baicalein	NOUN
dti-1366	377	6	and	and	CCONJ
dti-1366	377	7	baicalin	baicalin	NOUN
dti-1366	377	8	as	as	ADP
dti-1366	377	9	inhibitors	inhibitor	NOUN
dti-1366	377	10	of	of	ADP
dti-1366	377	11	dengue	dengue	NOUN
dti-1366	377	12	virus	virus	NOUN
dti-1366	377	13	replication	replication	NOUN
dti-1366	377	14	.	.	PUNCT
dti-1366	378	1	rsc	rsc	PROPN
dti-1366	378	2	adv	adv	PROPN
dti-1366	378	3	.	.	PUNCT
dti-1366	379	1	2016;6:31235–31247	2016;6:31235–31247	NUM
dti-1366	379	2	.	.	PUNCT
dti-1366	380	1	33	33	NUM
dti-1366	380	2	.	.	PUNCT
dti-1366	381	1	deng	deng	PROPN
dti-1366	381	2	j	j	PROPN
dti-1366	381	3	,	,	PUNCT
dti-1366	381	4	li	li	PROPN
dti-1366	381	5	n	n	PROPN
dti-1366	381	6	,	,	PUNCT
dti-1366	381	7	liu	liu	PROPN
dti-1366	381	8	h	h	PROPN
dti-1366	381	9	,	,	PUNCT
dti-1366	381	10	et	et	PROPN
dti-1366	381	11	al	al	PROPN
dti-1366	381	12	.	.	PROPN
dti-1366	381	13	discovery	discovery	PROPN
dti-1366	381	14	of	of	ADP
dti-1366	381	15	novel	novel	ADJ
dti-1366	381	16	small	small	ADJ
dti-1366	381	17	molecule	molecule	NOUN
dti-1366	381	18	inhibitors	inhibitor	NOUN
dti-1366	381	19	of	of	ADP
dti-1366	381	20	dengue	dengue	NOUN
dti-1366	381	21	viral	viral	ADJ
dti-1366	381	22	ns2b	ns2b	NOUN
dti-1366	381	23	-	-	PUNCT
dti-1366	381	24	ns3	ns3	NOUN
dti-1366	381	25	protease	protease	NOUN
dti-1366	381	26	using	use	VERB
dti-1366	381	27	virtual	virtual	ADJ
dti-1366	381	28	screening	screening	NOUN
dti-1366	381	29	and	and	CCONJ
dti-1366	381	30	scaffold	scaffold	NOUN
dti-1366	381	31	hopping	hopping	NOUN
dti-1366	381	32	.	.	PUNCT
dti-1366	382	1	j	j	PROPN
dti-1366	382	2	med	med	PROPN
dti-1366	382	3	chem	chem	NOUN
dti-1366	382	4	.	.	PUNCT
dti-1366	383	1	2012;55:6278–6293	2012;55:6278–6293	X
dti-1366	383	2	.	.	PUNCT
dti-1366	384	1	34	34	NUM
dti-1366	384	2	.	.	PUNCT
dti-1366	385	1	mukhametov	mukhametov	PROPN
dti-1366	385	2	a	a	PROPN
dti-1366	385	3	,	,	PUNCT
dti-1366	385	4	newhouse	newhouse	PROPN
dti-1366	385	5	ei	ei	PROPN
dti-1366	385	6	,	,	PUNCT
dti-1366	385	7	aziz	aziz	PROPN
dti-1366	385	8	na	na	PROPN
dti-1366	385	9	,	,	PUNCT
dti-1366	385	10	saito	saito	PROPN
dti-1366	385	11	ja	ja	PROPN
dti-1366	385	12	,	,	PUNCT
dti-1366	385	13	alam	alam	PROPN
dti-1366	385	14	m.	m.	PROPN
dti-1366	385	15	allosteric	allosteric	ADJ
dti-1366	385	16	pocket	pocket	NOUN
dti-1366	385	17	of	of	ADP
dti-1366	385	18	the	the	DET
dti-1366	385	19	dengue	dengue	NOUN
dti-1366	385	20	virus	virus	NOUN
dti-1366	385	21	(	(	PUNCT
dti-1366	385	22	serotype	serotype	ADJ
dti-1366	385	23	2	2	NUM
dti-1366	385	24	)	)	PUNCT
dti-1366	385	25	ns2b	ns2b	NOUN
dti-1366	385	26	/	/	SYM
dti-1366	385	27	ns3	ns3	NOUN
dti-1366	385	28	protease	protease	NOUN
dti-1366	385	29	:	:	PUNCT
dti-1366	385	30	in	in	ADP
dti-1366	385	31	silico	silico	NOUN
dti-1366	385	32	ligand	ligand	NOUN
dti-1366	385	33	screening	screening	NOUN
dti-1366	385	34	and	and	CCONJ
dti-1366	385	35	molecular	molecular	ADJ
dti-1366	385	36	dynamics	dynamic	NOUN
dti-1366	385	37	studies	study	NOUN
dti-1366	385	38	of	of	ADP
dti-1366	385	39	inhibition	inhibition	NOUN
dti-1366	385	40	.	.	PUNCT
dti-1366	386	1	j	j	PROPN
dti-1366	386	2	mol	mol	ADP
dti-1366	386	3	graph	graph	NOUN
dti-1366	386	4	model	model	NOUN
dti-1366	386	5	.	.	PUNCT
dti-1366	387	1	2014;52:103–113	2014;52:103–113	NUM
dti-1366	387	2	.	.	PUNCT
dti-1366	388	1	35	35	NUM
dti-1366	388	2	.	.	PUNCT
dti-1366	389	1	xu	xu	PROPN
dti-1366	389	2	s	s	PROPN
dti-1366	389	3	,	,	PUNCT
dti-1366	389	4	li	li	PROPN
dti-1366	389	5	h	h	PROPN
dti-1366	389	6	,	,	PUNCT
dti-1366	389	7	shao	shao	PROPN
dti-1366	389	8	x	x	PROPN
dti-1366	389	9	,	,	PUNCT
dti-1366	389	10	et	et	PROPN
dti-1366	389	11	al	al	PROPN
dti-1366	389	12	.	.	PROPN
dti-1366	390	1	critical	critical	ADJ
dti-1366	390	2	effect	effect	NOUN
dti-1366	390	3	of	of	ADP
dti-1366	390	4	peptide	peptide	ADJ
dti-1366	390	5	cyclization	cyclization	NOUN
dti-1366	390	6	on	on	ADP
dti-1366	390	7	the	the	DET
dti-1366	390	8	potency	potency	NOUN
dti-1366	390	9	of	of	ADP
dti-1366	390	10	peptide	peptide	ADJ
dti-1366	390	11	inhibitors	inhibitor	NOUN
dti-1366	390	12	against	against	ADP
dti-1366	390	13	dengue	dengue	NOUN
dti-1366	390	14	virus	virus	NOUN
dti-1366	390	15	ns2b	ns2b	NOUN
dti-1366	390	16	-	-	PUNCT
dti-1366	390	17	ns3	ns3	NOUN
dti-1366	390	18	protease	protease	NOUN
dti-1366	390	19	.	.	PUNCT
dti-1366	391	1	j	j	PROPN
dti-1366	391	2	med	med	PROPN
dti-1366	391	3	chem	chem	NOUN
dti-1366	391	4	.	.	PUNCT
dti-1366	392	1	2012;55:6881–6887	2012;55:6881–6887	NUM
dti-1366	392	2	.	.	PUNCT
dti-1366	393	1	36	36	NUM
dti-1366	393	2	.	.	PUNCT
dti-1366	394	1	liu	liu	PROPN
dti-1366	394	2	hh	hh	PROPN
dti-1366	394	3	,	,	PUNCT
dti-1366	394	4	wu	wu	PROPN
dti-1366	394	5	r	r	PROPN
dti-1366	394	6	,	,	PUNCT
dti-1366	394	7	sun	sun	PROPN
dti-1366	394	8	y	y	PROPN
dti-1366	394	9	,	,	PUNCT
dti-1366	394	10	et	et	PROPN
dti-1366	394	11	al	al	PROPN
dti-1366	394	12	.	.	PUNCT
dti-1366	394	13	identification	identification	NOUN
dti-1366	394	14	of	of	ADP
dti-1366	394	15	novel	novel	ADJ
dti-1366	394	16	thiadiazoloacrylamide	thiadiazoloacrylamide	NOUN
dti-1366	394	17	analogues	analogue	NOUN
dti-1366	394	18	as	as	ADP
dti-1366	394	19	inhibitors	inhibitor	NOUN
dti-1366	394	20	of	of	ADP
dti-1366	394	21	dengue-2	dengue-2	NUM
dti-1366	394	22	virus	virus	NOUN
dti-1366	394	23	ns2b	ns2b	NOUN
dti-1366	394	24	/	/	SYM
dti-1366	394	25	ns3	ns3	NOUN
dti-1366	394	26	protease	protease	NOUN
dti-1366	394	27	.	.	PUNCT
dti-1366	395	1	bioorganic	bioorganic	PROPN
dti-1366	395	2	med	med	PROPN
dti-1366	395	3	chem	chem	NOUN
dti-1366	395	4	.	.	PUNCT
dti-1366	396	1	2014;22:6344–6352	2014;22:6344–6352	NUM
dti-1366	396	2	.	.	PUNCT
dti-1366	397	1	37	37	NUM
dti-1366	397	2	.	.	PUNCT
dti-1366	398	1	tambunan	tambunan	PROPN
dti-1366	398	2	usf	usf	PROPN
dti-1366	398	3	,	,	PUNCT
dti-1366	398	4	bramantya	bramantya	ADJ
dti-1366	398	5	n	n	CCONJ
dti-1366	398	6	,	,	PUNCT
dti-1366	398	7	parikesit	parikesit	NOUN
dti-1366	398	8	aa	aa	NOUN
dti-1366	398	9	.	.	PUNCT
dti-1366	399	1	in	in	ADP
dti-1366	399	2	silico	silico	NOUN
dti-1366	399	3	modification	modification	NOUN
dti-1366	399	4	of	of	ADP
dti-1366	399	5	suberoylanilide	suberoylanilide	NOUN
dti-1366	399	6	hydroxamic	hydroxamic	PROPN
dti-1366	399	7	acid	acid	PROPN
dti-1366	399	8	(	(	PUNCT
dti-1366	399	9	saha	saha	PROPN
dti-1366	399	10	)	)	PUNCT
dti-1366	399	11	as	as	ADP
dti-1366	399	12	potential	potential	ADJ
dti-1366	399	13	inhibitor	inhibitor	NOUN
dti-1366	399	14	for	for	ADP
dti-1366	399	15	class	class	NOUN
dti-1366	399	16	ii	ii	PROPN
dti-1366	399	17	histone	histone	PROPN
dti-1366	399	18	deacetylase	deacetylase	PROPN
dti-1366	399	19	(	(	PUNCT
dti-1366	399	20	hdac	hdac	PROPN
dti-1366	399	21	)	)	PUNCT
dti-1366	399	22	.	.	PUNCT
dti-1366	400	1	bmc	bmc	ADJ
dti-1366	400	2	bioinformatics	bioinformatics	PROPN
dti-1366	400	3	.	.	PUNCT
dti-1366	401	1	2011;12	2011;12	NUM
dti-1366	401	2	:	:	PUNCT
dti-1366	401	3	s23	s23	NOUN
dti-1366	401	4	.	.	PUNCT
dti-1366	402	1	38	38	NUM
dti-1366	402	2	.	.	PUNCT
dti-1366	403	1	bakri	bakri	PROPN
dti-1366	403	2	r	r	NOUN
dti-1366	403	3	,	,	PUNCT
dti-1366	403	4	parikesit	parikesit	NOUN
dti-1366	403	5	aa	aa	NOUN
dti-1366	403	6	,	,	PUNCT
dti-1366	403	7	satriyanto	satriyanto	ADP
dti-1366	403	8	cp	cp	PROPN
dti-1366	403	9	,	,	PUNCT
dti-1366	403	10	kerami	kerami	NOUN
dti-1366	403	11	d	d	PROPN
dti-1366	403	12	,	,	PUNCT
dti-1366	403	13	tambunan	tambunan	PROPN
dti-1366	403	14	usf	usf	PROPN
dti-1366	403	15	.	.	PUNCT
dti-1366	404	1	utilization	utilization	NOUN
dti-1366	404	2	of	of	ADP
dti-1366	404	3	boron	boron	NOUN
dti-1366	404	4	compounds	compound	NOUN
dti-1366	404	5	for	for	ADP
dti-1366	404	6	the	the	DET
dti-1366	404	7	modification	modification	NOUN
dti-1366	404	8	of	of	ADP
dti-1366	404	9	suberoyl	suberoyl	NOUN
dti-1366	404	10	anilide	anilide	PROPN
dti-1366	404	11	hydroxamic	hydroxamic	PROPN
dti-1366	404	12	acid	acid	NOUN
dti-1366	404	13	as	as	ADP
dti-1366	404	14	inhibitor	inhibitor	NOUN
dti-1366	404	15	of	of	ADP
dti-1366	404	16	histone	histone	NOUN
dti-1366	404	17	deacetylase	deacetylase	PROPN
dti-1366	404	18	class	class	PROPN
dti-1366	404	19	ii	ii	PROPN
dti-1366	404	20	homo	homo	NOUN
dti-1366	404	21	sapiens	sapien	VERB
dti-1366	404	22	.	.	PUNCT
dti-1366	405	1	adv	adv	INTJ
dti-1366	405	2	bioinformatics	bioinformatic	NOUN
dti-1366	405	3	.	.	PUNCT
dti-1366	406	1	2014;7:1–10	2014;7:1–10	NUM
dti-1366	406	2	.	.	NOUN
dti-1366	407	1	39	39	NUM
dti-1366	407	2	.	.	PUNCT
dti-1366	408	1	tambunan	tambunan	PROPN
dti-1366	408	2	usf	usf	PROPN
dti-1366	408	3	,	,	PUNCT
dti-1366	408	4	parikesit	parikesit	NOUN
dti-1366	408	5	aa	aa	NOUN
dti-1366	408	6	,	,	PUNCT
dti-1366	408	7	ghifari	ghifari	NOUN
dti-1366	408	8	as	as	ADP
dti-1366	408	9	,	,	PUNCT
dti-1366	408	10	satriyanto	satriyanto	ADP
dti-1366	408	11	cp	cp	PROPN
dti-1366	408	12	.	.	PROPN
dti-1366	409	1	in	in	ADP
dti-1366	409	2	silico	silico	NOUN
dti-1366	409	3	identification	identification	NOUN
dti-1366	409	4	of	of	ADP
dti-1366	409	5	2	2	NUM
dti-1366	409	6	-	-	PUNCT
dti-1366	409	7	oxo-1,3	oxo-1,3	ADJ
dti-1366	409	8	-	-	PUNCT
dti-1366	409	9	thiazolidine	thiazolidine	NOUN
dti-1366	409	10	derivatives	derivative	NOUN
dti-1366	409	11	as	as	ADP
dti-1366	409	12	novel	novel	ADJ
dti-1366	409	13	inhibitors	inhibitor	NOUN
dti-1366	409	14	candidate	candidate	NOUN
dti-1366	409	15	of	of	ADP
dti-1366	409	16	class	class	PROPN
dti-1366	409	17	ii	ii	PROPN
dti-1366	409	18	histone	histone	PROPN
dti-1366	409	19	deacetylase	deacetylase	PROPN
dti-1366	409	20	(	(	PUNCT
dti-1366	409	21	hdac	hdac	PROPN
dti-1366	409	22	)	)	PUNCT
dti-1366	409	23	in	in	ADP
dti-1366	409	24	cervical	cervical	ADJ
dti-1366	409	25	cancer	cancer	NOUN
dti-1366	409	26	treatment	treatment	NOUN
dti-1366	409	27	.	.	PUNCT
dti-1366	410	1	arab	arab	PROPN
dti-1366	410	2	j	j	PROPN
dti-1366	410	3	chem	chem	NOUN
dti-1366	410	4	.	.	PUNCT
dti-1366	411	1	2015	2015	NUM
dti-1366	411	2	.	.	PUNCT
dti-1366	412	1	doi:10.1016	doi:10.1016	PROPN
dti-1366	412	2	/	/	SYM
dti-1366	412	3	j.arabjc.2015.07.010	j.arabjc.2015.07.010	PROPN
dti-1366	412	4	.	.	PROPN
dti-1366	413	1	40	40	NUM
dti-1366	413	2	.	.	PUNCT
dti-1366	414	1	molecular	molecular	ADJ
dti-1366	414	2	operating	operating	NOUN
dti-1366	414	3	environment	environment	NOUN
dti-1366	414	4	(	(	PUNCT
dti-1366	414	5	moe	moe	NOUN
dti-1366	414	6	)	)	PUNCT
dti-1366	414	7	,	,	PUNCT
dti-1366	414	8	2008.10	2008.10	NUM
dti-1366	414	9	;	;	PUNCT
dti-1366	414	10	chemical	chemical	PROPN
dti-1366	414	11	computing	computing	PROPN
dti-1366	414	12	group	group	PROPN
dti-1366	414	13	inc	inc	PROPN
dti-1366	414	14	.	.	PROPN
dti-1366	414	15	,	,	PUNCT
dti-1366	414	16	1010	1010	NUM
dti-1366	414	17	sherbooke	sherbooke	VERB
dti-1366	414	18	st	st	PROPN
dti-1366	414	19	.	.	PROPN
dti-1366	414	20	west	west	PROPN
dti-1366	414	21	,	,	PUNCT
dti-1366	414	22	suite	suite	NOUN
dti-1366	414	23	#	#	SYM
dti-1366	414	24	910	910	NUM
dti-1366	414	25	,	,	PUNCT
dti-1366	414	26	montreal	montreal	PROPN
dti-1366	414	27	,	,	PUNCT
dti-1366	414	28	qc	qc	PROPN
dti-1366	414	29	,	,	PUNCT
dti-1366	414	30	canada	canada	PROPN
dti-1366	414	31	,	,	PUNCT
dti-1366	414	32	h3a	h3a	X
dti-1366	414	33	2r7	2r7	NUM
dti-1366	414	34	,	,	PUNCT
dti-1366	414	35	2016	2016	NUM
dti-1366	414	36	.	.	PUNCT
dti-1366	415	1	41	41	NUM
dti-1366	415	2	.	.	PUNCT
dti-1366	416	1	vilar	vilar	PROPN
dti-1366	416	2	s	s	PROPN
dti-1366	416	3	,	,	PUNCT
dti-1366	416	4	cozza	cozza	NOUN
dti-1366	416	5	g	g	NOUN
dti-1366	416	6	,	,	PUNCT
dti-1366	416	7	moro	moro	PROPN
dti-1366	416	8	s.	s.	PROPN
dti-1366	416	9	medicinal	medicinal	PROPN
dti-1366	416	10	chemistry	chemistry	PROPN
dti-1366	416	11	and	and	CCONJ
dti-1366	416	12	the	the	DET
dti-1366	416	13	molecular	molecular	ADJ
dti-1366	416	14	operating	operating	NOUN
dti-1366	416	15	environment	environment	NOUN
dti-1366	416	16	(	(	PUNCT
dti-1366	416	17	moe	moe	NOUN
dti-1366	416	18	):	):	PUNCT
dti-1366	416	19	application	application	NOUN
dti-1366	416	20	of	of	ADP
dti-1366	416	21	qsar	qsar	NOUN
dti-1366	416	22	and	and	CCONJ
dti-1366	416	23	molecular	molecular	ADJ
dti-1366	416	24	docking	docking	NOUN
dti-1366	416	25	to	to	ADP
dti-1366	416	26	drug	drug	NOUN
dti-1366	416	27	discovery	discovery	NOUN
dti-1366	416	28	.	.	PUNCT
dti-1366	417	1	curr	curr	PROPN
dti-1366	417	2	top	top	ADJ
dti-1366	417	3	med	med	ADJ
dti-1366	417	4	chem	chem	NOUN
dti-1366	417	5	.	.	PUNCT
dti-1366	418	1	2008;8:1555–1572	2008;8:1555–1572	X
dti-1366	418	2	.	.	X
dti-1366	419	1	42	42	NUM
dti-1366	419	2	.	.	PUNCT
dti-1366	420	1	toxtree	toxtree	ADJ
dti-1366	420	2	—	—	PUNCT
dti-1366	420	3	toxic	toxic	ADJ
dti-1366	420	4	hazard	hazard	NOUN
dti-1366	420	5	estimation	estimation	NOUN
dti-1366	420	6	by	by	ADP
dti-1366	420	7	decision	decision	NOUN
dti-1366	420	8	tree	tree	NOUN
dti-1366	420	9	approach	approach	NOUN
dti-1366	420	10	.	.	PUNCT
dti-1366	421	1	http://toxtree	http://toxtree	X
dti-1366	421	2	.	.	PUNCT
dti-1366	422	1	sourceforge.net/.	sourceforge.net/.	PROPN
dti-1366	422	2	accessed	access	VERB
dti-1366	422	3	may	may	PROPN
dti-1366	422	4	26	26	NUM
dti-1366	422	5	,	,	PUNCT
dti-1366	422	6	2015	2015	NUM
dti-1366	422	7	.	.	PUNCT
dti-1366	423	1	43	43	NUM
dti-1366	423	2	.	.	PUNCT
dti-1366	424	1	sander	sander	PROPN
dti-1366	424	2	t	t	PROPN
dti-1366	424	3	,	,	PUNCT
dti-1366	424	4	freyss	freyss	PROPN
dti-1366	424	5	j	j	PROPN
dti-1366	424	6	,	,	PUNCT
dti-1366	424	7	von	von	PROPN
dti-1366	424	8	korff	korff	PROPN
dti-1366	424	9	m	m	PROPN
dti-1366	424	10	,	,	PUNCT
dti-1366	424	11	reich	reich	PROPN
dti-1366	424	12	jr	jr	PROPN
dti-1366	424	13	,	,	PUNCT
dti-1366	424	14	rufener	rufener	NOUN
dti-1366	424	15	c.	c.	PROPN
dti-1366	424	16	osiris	osiris	PROPN
dti-1366	424	17	,	,	PUNCT
dti-1366	424	18	an	an	DET
dti-1366	424	19	entirely	entirely	ADV
dti-1366	424	20	inhouse	inhouse	NOUN
dti-1366	424	21	developed	develop	VERB
dti-1366	424	22	drug	drug	NOUN
dti-1366	424	23	discovery	discovery	NOUN
dti-1366	424	24	informatics	informatic	NOUN
dti-1366	424	25	system	system	NOUN
dti-1366	424	26	.	.	PUNCT
dti-1366	425	1	j	j	PROPN
dti-1366	425	2	chem	chem	PROPN
dti-1366	425	3	inf	inf	PROPN
dti-1366	425	4	model	model	NOUN
dti-1366	425	5	.	.	PUNCT
dti-1366	426	1	2009;49:232–246	2009;49:232–246	NOUN
dti-1366	426	2	.	.	PUNCT
dti-1366	427	1	44	44	NUM
dti-1366	427	2	.	.	PUNCT
dti-1366	427	3	national	national	ADJ
dti-1366	427	4	center	center	NOUN
dti-1366	427	5	for	for	ADP
dti-1366	427	6	biotechnology	biotechnology	NOUN
dti-1366	427	7	information	information	NOUN
dti-1366	427	8	.	.	PUNCT
dti-1366	428	1	refseq	refseq	NOUN
dti-1366	428	2	:	:	PUNCT
dti-1366	428	3	ncbi	ncbi	PROPN
dti-1366	428	4	reference	reference	PROPN
dti-1366	428	5	sequence	sequence	NOUN
dti-1366	428	6	database	database	NOUN
dti-1366	428	7	.	.	PUNCT
dti-1366	429	1	https://www.ncbi.nlm.nih.gov/refseq/.	https://www.ncbi.nlm.nih.gov/refseq/.	PROPN
dti-1366	429	2	accessed	access	VERB
dti-1366	429	3	january	january	PROPN
dti-1366	429	4	18	18	NUM
dti-1366	429	5	,	,	PUNCT
dti-1366	429	6	2017	2017	NUM
dti-1366	429	7	.	.	PUNCT
dti-1366	430	1	45	45	NUM
dti-1366	430	2	.	.	PUNCT
dti-1366	431	1	ansel	ansel	PROPN
dti-1366	431	2	hc	hc	PROPN
dti-1366	431	3	.	.	PROPN
dti-1366	431	4	pengantar	pengantar	PROPN
dti-1366	431	5	bentuk	bentuk	PROPN
dti-1366	431	6	sediaan	sediaan	PROPN
dti-1366	431	7	farmasi	farmasi	PROPN
dti-1366	431	8	.	.	PUNCT
dti-1366	432	1	1st	1st	ADJ
dti-1366	432	2	ed	ed	NOUN
dti-1366	432	3	.	.	PUNCT
dti-1366	433	1	jakarta	jakarta	PROPN
dti-1366	433	2	,	,	PUNCT
dti-1366	433	3	indonesia	indonesia	PROPN
dti-1366	433	4	:	:	PUNCT
dti-1366	433	5	universitas	universita	VERB
dti-1366	433	6	indonesia	indonesia	PROPN
dti-1366	433	7	press	press	PROPN
dti-1366	433	8	;	;	PUNCT
dti-1366	433	9	2005	2005	NUM
dti-1366	433	10	.	.	PUNCT
dti-1366	434	1	46	46	NUM
dti-1366	434	2	.	.	PUNCT
dti-1366	435	1	hakimelahi	hakimelahi	PROPN
dti-1366	435	2	gh	gh	PROPN
dti-1366	435	3	,	,	PUNCT
dti-1366	435	4	khodarahmi	khodarahmi	PROPN
dti-1366	435	5	ga	ga	PROPN
dti-1366	435	6	.	.	PUNCT
dti-1366	436	1	the	the	DET
dti-1366	436	2	identification	identification	NOUN
dti-1366	436	3	of	of	ADP
dti-1366	436	4	toxicophores	toxicophore	NOUN
dti-1366	436	5	for	for	ADP
dti-1366	436	6	the	the	DET
dti-1366	436	7	prediction	prediction	NOUN
dti-1366	436	8	of	of	ADP
dti-1366	436	9	mutagenicity	mutagenicity	NOUN
dti-1366	436	10	,	,	PUNCT
dti-1366	436	11	hepatotoxicity	hepatotoxicity	NOUN
dti-1366	436	12	and	and	CCONJ
dti-1366	436	13	cardiotoxicity	cardiotoxicity	PROPN
dti-1366	436	14	.	.	PUNCT
dti-1366	437	1	j	j	PROPN
dti-1366	437	2	iran	iran	PROPN
dti-1366	437	3	chem	chem	PROPN
dti-1366	437	4	soc	soc	NOUN
dti-1366	437	5	.	.	PUNCT
dti-1366	438	1	2005;2:244–267	2005;2:244–267	NUM
dti-1366	438	2	.	.	PUNCT
dti-1366	439	1	47	47	NUM
dti-1366	439	2	.	.	PUNCT
dti-1366	440	1	lim	lim	PROPN
dti-1366	440	2	sp	sp	PROPN
dti-1366	440	3	,	,	PUNCT
dti-1366	440	4	wen	wen	PROPN
dti-1366	440	5	d	d	PROPN
dti-1366	440	6	,	,	PUNCT
dti-1366	440	7	yap	yap	PROPN
dti-1366	440	8	tl	tl	PROPN
dti-1366	440	9	,	,	PUNCT
dti-1366	440	10	yan	yan	PROPN
dti-1366	440	11	ck	ck	PROPN
dti-1366	440	12	,	,	PUNCT
dti-1366	440	13	lescar	lescar	PROPN
dti-1366	440	14	j	j	PROPN
dti-1366	440	15	,	,	PUNCT
dti-1366	440	16	vasudevan	vasudevan	PROPN
dti-1366	440	17	sg	sg	PROPN
dti-1366	440	18	.	.	PUNCT
dti-1366	441	1	a	a	DET
dti-1366	441	2	scintillation	scintillation	NOUN
dti-1366	441	3	proximity	proximity	NOUN
dti-1366	441	4	assay	assay	VERB
dti-1366	441	5	for	for	ADP
dti-1366	441	6	dengue	dengue	NOUN
dti-1366	441	7	virus	virus	PROPN
dti-1366	441	8	ns5	ns5	PROPN
dti-1366	441	9	2′-o	2′-o	ADV
dti-1366	441	10	-	-	PUNCT
dti-1366	441	11	methyltransferase	methyltransferase	NOUN
dti-1366	441	12	-	-	PUNCT
dti-1366	441	13	kinetic	kinetic	NOUN
dti-1366	441	14	and	and	CCONJ
dti-1366	441	15	inhibition	inhibition	NOUN
dti-1366	441	16	analyses	analysis	NOUN
dti-1366	441	17	.	.	PUNCT
dti-1366	442	1	antiviral	antiviral	ADJ
dti-1366	442	2	res	re	NOUN
dti-1366	442	3	.	.	PUNCT
dti-1366	443	1	2008;80:360–369	2008;80:360–369	NOUN
dti-1366	443	2	.	.	PUNCT
dti-1366	444	1	48	48	NUM
dti-1366	444	2	.	.	PUNCT
dti-1366	445	1	idrus	idrus	PROPN
dti-1366	445	2	s	s	PROPN
dti-1366	445	3	,	,	PUNCT
dti-1366	445	4	tambunan	tambunan	NOUN
dti-1366	445	5	u	u	NOUN
dti-1366	445	6	,	,	PUNCT
dti-1366	445	7	zubaidi	zubaidi	PROPN
dti-1366	445	8	aa	aa	PROPN
dti-1366	445	9	.	.	PUNCT
dti-1366	446	1	designing	design	VERB
dti-1366	446	2	cyclopentapeptide	cyclopentapeptide	ADJ
dti-1366	446	3	inhibitor	inhibitor	NOUN
dti-1366	446	4	as	as	ADP
dti-1366	446	5	potential	potential	ADJ
dti-1366	446	6	antiviral	antiviral	ADJ
dti-1366	446	7	drug	drug	NOUN
dti-1366	446	8	for	for	ADP
dti-1366	446	9	dengue	dengue	NOUN
dti-1366	446	10	virus	virus	PROPN
dti-1366	446	11	ns5	ns5	PROPN
dti-1366	446	12	methyltransferase	methyltransferase	PROPN
dti-1366	446	13	.	.	PUNCT
dti-1366	447	1	bioinformation	bioinformation	NOUN
dti-1366	447	2	.	.	PUNCT
dti-1366	448	1	2012;8:348–352	2012;8:348–352	NUM
dti-1366	448	2	.	.	NOUN
dti-1366	448	3	49	49	NUM
dti-1366	448	4	.	.	PUNCT
dti-1366	449	1	ertl	ertl	PROPN
dti-1366	449	2	p.	p.	PROPN
dti-1366	449	3	cheminformatics	cheminformatics	PROPN
dti-1366	449	4	analysis	analysis	NOUN
dti-1366	449	5	of	of	ADP
dti-1366	449	6	organic	organic	ADJ
dti-1366	449	7	substituents	substituent	NOUN
dti-1366	449	8	:	:	PUNCT
dti-1366	449	9	identification	identification	NOUN
dti-1366	449	10	of	of	ADP
dti-1366	449	11	the	the	DET
dti-1366	449	12	most	most	ADV
dti-1366	449	13	common	common	ADJ
dti-1366	449	14	substituents	substituent	NOUN
dti-1366	449	15	,	,	PUNCT
dti-1366	449	16	calculation	calculation	NOUN
dti-1366	449	17	of	of	ADP
dti-1366	449	18	substituent	substituent	NOUN
dti-1366	449	19	properties	property	NOUN
dti-1366	449	20	,	,	PUNCT
dti-1366	449	21	and	and	CCONJ
dti-1366	449	22	automatic	automatic	ADJ
dti-1366	449	23	identification	identification	NOUN
dti-1366	449	24	of	of	ADP
dti-1366	449	25	drug	drug	NOUN
dti-1366	449	26	-	-	PUNCT
dti-1366	449	27	like	like	ADJ
dti-1366	449	28	bioisosteric	bioisosteric	NOUN
dti-1366	449	29	groups	group	NOUN
dti-1366	449	30	.	.	PUNCT
dti-1366	450	1	cheminform	cheminform	NOUN
dti-1366	450	2	.	.	PUNCT
dti-1366	451	1	2003;34:374–380	2003;34:374–380	X
dti-1366	451	2	.	.	NOUN
dti-1366	452	1	50	50	NUM
dti-1366	452	2	.	.	PUNCT
dti-1366	453	1	tambunan	tambunan	PROPN
dti-1366	453	2	usf	usf	PROPN
dti-1366	453	3	,	,	PUNCT
dti-1366	453	4	alamudi	alamudi	PROPN
dti-1366	453	5	s.	s.	PROPN
dti-1366	453	6	designing	design	VERB
dti-1366	453	7	cyclic	cyclic	ADJ
dti-1366	453	8	peptide	peptide	NOUN
dti-1366	453	9	inhibitor	inhibitor	NOUN
dti-1366	453	10	of	of	ADP
dti-1366	453	11	dengue	dengue	PROPN
dti-1366	453	12	virus	virus	NOUN
dti-1366	453	13	ns3	ns3	PROPN
dti-1366	453	14	-	-	ADJ
dti-1366	453	15	ns2b	ns2b	NOUN
dti-1366	453	16	protease	protease	NOUN
dti-1366	453	17	by	by	ADP
dti-1366	453	18	using	use	VERB
dti-1366	453	19	molecular	molecular	ADJ
dti-1366	453	20	docking	docking	NOUN
dti-1366	453	21	approach	approach	NOUN
dti-1366	453	22	.	.	PUNCT
dti-1366	454	1	bioinformation	bioinformation	NOUN
dti-1366	454	2	.	.	PUNCT
dti-1366	455	1	2010;5:250–254	2010;5:250–254	NUM
dti-1366	455	2	.	.	PUNCT
dti-1366	456	1	51	51	NUM
dti-1366	456	2	.	.	PUNCT
dti-1366	457	1	singh	singh	PROPN
dti-1366	457	2	s	s	PROPN
dti-1366	457	3	,	,	PUNCT
dti-1366	457	4	malik	malik	X
dti-1366	457	5	bk	bk	PROPN
dti-1366	457	6	,	,	PUNCT
dti-1366	457	7	sharma	sharma	PROPN
dti-1366	457	8	dk	dk	PROPN
dti-1366	457	9	.	.	PROPN
dti-1366	457	10	molecular	molecular	ADJ
dti-1366	457	11	drug	drug	NOUN
dti-1366	457	12	targets	target	NOUN
dti-1366	457	13	and	and	CCONJ
dti-1366	457	14	structure	structure	NOUN
dti-1366	457	15	based	base	VERB
dti-1366	457	16	drug	drug	NOUN
dti-1366	457	17	design	design	NOUN
dti-1366	457	18	:	:	PUNCT
dti-1366	457	19	a	a	DET
dti-1366	457	20	holistic	holistic	ADJ
dti-1366	457	21	approach	approach	NOUN
dti-1366	457	22	.	.	PUNCT
dti-1366	458	1	bioinformation	bioinformation	NOUN
dti-1366	458	2	.	.	PUNCT
dti-1366	459	1	2006;1:314–320	2006;1:314–320	X
dti-1366	459	2	.	.	NOUN
dti-1366	459	3	52	52	NUM
dti-1366	459	4	.	.	PUNCT
dti-1366	459	5	egloff	egloff	PROPN
dti-1366	459	6	mp	mp	PROPN
dti-1366	459	7	,	,	PUNCT
dti-1366	459	8	decroly	decroly	ADJ
dti-1366	459	9	e	e	NOUN
dti-1366	459	10	,	,	PUNCT
dti-1366	459	11	malet	malet	PROPN
dti-1366	459	12	h	h	PROPN
dti-1366	459	13	,	,	PUNCT
dti-1366	459	14	et	et	PROPN
dti-1366	459	15	al	al	PROPN
dti-1366	459	16	.	.	PROPN
dti-1366	459	17	structural	structural	ADJ
dti-1366	459	18	and	and	CCONJ
dti-1366	459	19	functional	functional	ADJ
dti-1366	459	20	analysis	analysis	NOUN
dti-1366	459	21	of	of	ADP
dti-1366	459	22	methylation	methylation	NOUN
dti-1366	459	23	and	and	CCONJ
dti-1366	459	24	5′-rna	5′-rna	NOUN
dti-1366	459	25	sequence	sequence	NOUN
dti-1366	459	26	requirements	requirement	NOUN
dti-1366	459	27	of	of	ADP
dti-1366	459	28	short	short	ADJ
dti-1366	459	29	capped	cap	VERB
dti-1366	459	30	rnas	rna	NOUN
dti-1366	459	31	by	by	ADP
dti-1366	459	32	the	the	DET
dti-1366	459	33	methyltransferase	methyltransferase	NOUN
dti-1366	459	34	domain	domain	NOUN
dti-1366	459	35	of	of	ADP
dti-1366	459	36	dengue	dengue	PROPN
dti-1366	459	37	virus	virus	PROPN
dti-1366	459	38	ns5	ns5	PROPN
dti-1366	459	39	.	.	PUNCT
dti-1366	460	1	j	j	PROPN
dti-1366	460	2	mol	mol	PROPN
dti-1366	460	3	biol	biol	PROPN
dti-1366	460	4	.	.	PUNCT
dti-1366	461	1	2007;372:723–736	2007;372:723–736	X
dti-1366	461	2	.	.	PUNCT
dti-1366	462	1	53	53	NUM
dti-1366	462	2	.	.	PUNCT
dti-1366	463	1	panigrahi	panigrahi	NOUN
dti-1366	463	2	sk	sk	ADP
dti-1366	463	3	,	,	PUNCT
dti-1366	463	4	desiraju	desiraju	NOUN
dti-1366	463	5	gr	gr	NOUN
dti-1366	463	6	.	.	PUNCT
dti-1366	463	7	strong	strong	ADJ
dti-1366	463	8	and	and	CCONJ
dti-1366	463	9	weak	weak	ADJ
dti-1366	463	10	hydrogen	hydrogen	NOUN
dti-1366	463	11	bonds	bond	NOUN
dti-1366	463	12	in	in	ADP
dti-1366	463	13	the	the	DET
dti-1366	463	14	protein	protein	NOUN
dti-1366	463	15	-	-	PUNCT
dti-1366	463	16	ligand	ligand	NOUN
dti-1366	463	17	interface	interface	NOUN
dti-1366	463	18	.	.	PUNCT
dti-1366	464	1	proteins	protein	NOUN
dti-1366	464	2	.	.	PUNCT
dti-1366	465	1	2007;67:128–141	2007;67:128–141	NUM
dti-1366	465	2	.	.	X
dti-1366	466	1	54	54	NUM
dti-1366	466	2	.	.	PUNCT
dti-1366	467	1	teodoro	teodoro	PROPN
dti-1366	467	2	ml	ml	PROPN
dti-1366	467	3	,	,	PUNCT
dti-1366	467	4	phillips	phillips	PROPN
dti-1366	467	5	j	j	PROPN
dti-1366	467	6	,	,	PUNCT
dti-1366	467	7	kavraki	kavraki	PROPN
dti-1366	467	8	le	le	X
dti-1366	467	9	.	.	PUNCT
dti-1366	467	10	molecular	molecular	ADJ
dti-1366	467	11	docking	docking	NOUN
dti-1366	467	12	:	:	PUNCT
dti-1366	467	13	a	a	DET
dti-1366	467	14	problem	problem	NOUN
dti-1366	467	15	with	with	ADP
dti-1366	467	16	thousands	thousand	NOUN
dti-1366	467	17	of	of	ADP
dti-1366	467	18	degrees	degree	NOUN
dti-1366	467	19	of	of	ADP
dti-1366	467	20	freedom	freedom	NOUN
dti-1366	467	21	.	.	PUNCT
dti-1366	468	1	ieee	ieee	PROPN
dti-1366	468	2	int	int	PROPN
dti-1366	468	3	conf	conf	NOUN
dti-1366	468	4	robot	robot	NOUN
dti-1366	468	5	.	.	PUNCT
dti-1366	469	1	2001;1:960–965	2001;1:960–965	NUM
dti-1366	469	2	.	.	PUNCT
dti-1366	470	1	55	55	NUM
dti-1366	470	2	.	.	PUNCT
dti-1366	471	1	cook	cook	VERB
dti-1366	471	2	it	it	PRON
dti-1366	471	3	,	,	PUNCT
dti-1366	471	4	leyh	leyh	PROPN
dti-1366	471	5	ts	ts	PROPN
dti-1366	471	6	,	,	PUNCT
dti-1366	471	7	kadlubar	kadlubar	PROPN
dti-1366	471	8	sa	sa	PROPN
dti-1366	471	9	,	,	PUNCT
dti-1366	471	10	falany	falany	NOUN
dti-1366	472	1	cn	cn	PROPN
dti-1366	472	2	.	.	PROPN
dti-1366	472	3	structural	structural	ADJ
dti-1366	472	4	rearrangement	rearrangement	NOUN
dti-1366	472	5	of	of	ADP
dti-1366	472	6	sult2a1	sult2a1	NOUN
dti-1366	472	7	:	:	PUNCT
dti-1366	472	8	effects	effect	NOUN
dti-1366	472	9	on	on	ADP
dti-1366	472	10	dehydroepiandrosterone	dehydroepiandrosterone	PROPN
dti-1366	472	11	and	and	CCONJ
dti-1366	472	12	raloxifene	raloxifene	PROPN
dti-1366	472	13	sulfation	sulfation	NOUN
dti-1366	472	14	.	.	PUNCT
dti-1366	473	1	horm	horm	NOUN
dti-1366	473	2	mol	mol	ADP
dti-1366	473	3	biol	biol	PROPN
dti-1366	473	4	clin	clin	PROPN
dti-1366	473	5	investig	investig	PROPN
dti-1366	473	6	.	.	PUNCT
dti-1366	474	1	2010;1:81–87	2010;1:81–87	NUM
dti-1366	474	2	.	.	X
dti-1366	474	3	56	56	NUM
dti-1366	474	4	.	.	PUNCT
dti-1366	474	5	manavalan	manavalan	PROPN
dti-1366	474	6	b	b	PROPN
dti-1366	474	7	,	,	PUNCT
dti-1366	474	8	murugapiran	murugapiran	ADJ
dti-1366	474	9	sk	sk	PROPN
dti-1366	474	10	,	,	PUNCT
dti-1366	474	11	lee	lee	PROPN
dti-1366	474	12	g	g	PROPN
dti-1366	474	13	,	,	PUNCT
dti-1366	474	14	choi	choi	NOUN
dti-1366	474	15	s.	s.	PROPN
dti-1366	474	16	molecular	molecular	ADJ
dti-1366	474	17	modeling	modeling	NOUN
dti-1366	474	18	of	of	ADP
dti-1366	474	19	the	the	DET
dti-1366	474	20	reductase	reductase	NOUN
dti-1366	474	21	domain	domain	NOUN
dti-1366	474	22	to	to	PART
dti-1366	474	23	elucidate	elucidate	VERB
dti-1366	474	24	the	the	DET
dti-1366	474	25	reaction	reaction	NOUN
dti-1366	474	26	mechanism	mechanism	NOUN
dti-1366	474	27	of	of	ADP
dti-1366	474	28	reduction	reduction	NOUN
dti-1366	474	29	of	of	ADP
dti-1366	474	30	peptidyl	peptidyl	NOUN
dti-1366	474	31	thioester	thioester	NOUN
dti-1366	474	32	into	into	ADP
dti-1366	474	33	its	its	PRON
dti-1366	474	34	corresponding	corresponding	ADJ
dti-1366	474	35	alcohol	alcohol	NOUN
dti-1366	474	36	in	in	ADP
dti-1366	474	37	non	non	ADJ
dti-1366	474	38	-	-	ADJ
dti-1366	474	39	ribosomal	ribosomal	ADJ
dti-1366	474	40	peptide	peptide	NOUN
dti-1366	474	41	synthetases	synthetase	NOUN
dti-1366	474	42	.	.	PUNCT
dti-1366	475	1	bmc	bmc	PROPN
dti-1366	475	2	struct	struct	NOUN
dti-1366	475	3	biol	biol	NOUN
dti-1366	475	4	.	.	PUNCT
dti-1366	476	1	2010;10:1	2010;10:1	NUM
dti-1366	476	2	.	.	PROPN
dti-1366	476	3	57	57	NUM
dti-1366	476	4	.	.	PUNCT
dti-1366	477	1	nylander	nylander	PROPN
dti-1366	477	2	e.	e.	PROPN
dti-1366	477	3	dockcontrol	dockcontrol	PROPN
dti-1366	477	4	:	:	PUNCT
dti-1366	477	5	a	a	DET
dti-1366	477	6	new	new	ADJ
dti-1366	477	7	integrated	integrate	VERB
dti-1366	477	8	software	software	NOUN
dti-1366	477	9	for	for	ADP
dti-1366	477	10	design	design	NOUN
dti-1366	477	11	of	of	ADP
dti-1366	477	12	experiments	experiment	NOUN
dti-1366	477	13	and	and	CCONJ
dti-1366	477	14	molecular	molecular	ADJ
dti-1366	477	15	docking	docking	NOUN
dti-1366	477	16	:	:	PUNCT
dti-1366	477	17	application	application	NOUN
dti-1366	477	18	to	to	ADP
dti-1366	477	19	hiv	hiv	NOUN
dti-1366	477	20	-	-	PUNCT
dti-1366	477	21	protease	protease	NOUN
dti-1366	477	22	inhibitors	inhibitor	NOUN
dti-1366	477	23	.	.	PUNCT
dti-1366	478	1	http://www8.cs.umu	http://www8.cs.umu	X
dti-1366	478	2	.	.	PUNCT
dti-1366	479	1	se	se	ADJ
dti-1366	479	2	/	/	SYM
dti-1366	479	3	education	education	NOUN
dti-1366	479	4	/	/	SYM
dti-1366	479	5	examina	examina	NOUN
dti-1366	479	6	/	/	SYM
dti-1366	479	7	rapporter	rapporter	PROPN
dti-1366	479	8	/	/	SYM
dti-1366	479	9	evanylander.pdf	evanylander.pdf	PROPN
dti-1366	479	10	.	.	PUNCT
dti-1366	480	1	published	publish	VERB
dti-1366	480	2	2007	2007	NUM
dti-1366	480	3	.	.	PUNCT
dti-1366	481	1	58	58	NUM
dti-1366	481	2	.	.	PUNCT
dti-1366	482	1	nurbaiti	nurbaiti	PROPN
dti-1366	482	2	s	s	PROPN
dti-1366	482	3	,	,	PUNCT
dti-1366	482	4	nagao	nagao	ADJ
dti-1366	482	5	h	h	NOUN
dti-1366	482	6	,	,	PUNCT
dti-1366	482	7	saito	saito	PROPN
dti-1366	482	8	h	h	PROPN
dti-1366	482	9	,	,	PUNCT
dti-1366	482	10	hertadi	hertadi	NOUN
dti-1366	482	11	r	r	NOUN
dti-1366	482	12	,	,	PUNCT
dti-1366	482	13	martoprawiro	martoprawiro	PROPN
dti-1366	482	14	ma	ma	PROPN
dti-1366	482	15	.	.	PROPN
dti-1366	482	16	akhmaloka	akhmaloka	PROPN
dti-1366	482	17	.	.	PUNCT
dti-1366	483	1	domain	domain	NOUN
dti-1366	483	2	motions	motion	NOUN
dti-1366	483	3	of	of	ADP
dti-1366	483	4	klenow	klenow	PROPN
dti-1366	483	5	-	-	PUNCT
dti-1366	483	6	like	like	ADJ
dti-1366	483	7	dna	dna	NOUN
dti-1366	483	8	polymerase	polymerase	NOUN
dti-1366	483	9	i	i	PRON
dti-1366	483	10	itb-1	itb-1	PUNCT
dti-1366	483	11	in	in	ADP
dti-1366	483	12	the	the	DET
dti-1366	483	13	absence	absence	NOUN
dti-1366	483	14	of	of	ADP
dti-1366	483	15	substrate	substrate	NOUN
dti-1366	483	16	.	.	PUNCT
dti-1366	484	1	int	int	PROPN
dti-1366	484	2	j	j	PROPN
dti-1366	484	3	integr	integr	PROPN
dti-1366	484	4	biol	biol	PROPN
dti-1366	484	5	.	.	PUNCT
dti-1366	485	1	2010;9:104–110	2010;9:104–110	NUM
dti-1366	485	2	.	.	NOUN
dti-1366	485	3	59	59	NUM
dti-1366	485	4	.	.	PUNCT
dti-1366	485	5	acd	acd	PROPN
dti-1366	485	6	/	/	SYM
dti-1366	485	7	i	i	NOUN
dti-1366	485	8	-	-	PUNCT
dti-1366	485	9	lab	lab	NOUN
dti-1366	485	10	2.0	2.0	NUM
dti-1366	485	11	.	.	PUNCT
dti-1366	486	1	https://ilab.acdlabs.com/ilab2/index.php	https://ilab.acdlabs.com/ilab2/index.php	PROPN
dti-1366	486	2	.	.	PUNCT
dti-1366	487	1	accessed	access	VERB
dti-1366	487	2	may	may	PROPN
dti-1366	487	3	26	26	NUM
dti-1366	487	4	,	,	PUNCT
dti-1366	487	5	2015	2015	NUM
dti-1366	487	6	.	.	PUNCT
dti-1366	488	1	60	60	NUM
dti-1366	488	2	.	.	PUNCT
dti-1366	488	3	veber	veber	PROPN
dti-1366	488	4	df	df	PROPN
dti-1366	488	5	,	,	PUNCT
dti-1366	488	6	johnson	johnson	PROPN
dti-1366	488	7	sr	sr	PROPN
dti-1366	488	8	,	,	PUNCT
dti-1366	488	9	cheng	cheng	PROPN
dti-1366	488	10	h	h	PROPN
dti-1366	488	11	,	,	PUNCT
dti-1366	488	12	smith	smith	PROPN
dti-1366	488	13	br	br	PROPN
dti-1366	488	14	,	,	PUNCT
dti-1366	488	15	ward	ward	PROPN
dti-1366	488	16	kw	kw	PROPN
dti-1366	488	17	,	,	PUNCT
dti-1366	488	18	kopple	kopple	PROPN
dti-1366	488	19	kd	kd	PROPN
dti-1366	488	20	.	.	PUNCT
dti-1366	489	1	molecular	molecular	ADJ
dti-1366	489	2	properties	property	NOUN
dti-1366	489	3	that	that	PRON
dti-1366	489	4	influence	influence	VERB
dti-1366	489	5	the	the	DET
dti-1366	489	6	oral	oral	ADJ
dti-1366	489	7	bioavailability	bioavailability	NOUN
dti-1366	489	8	of	of	ADP
dti-1366	489	9	drug	drug	NOUN
dti-1366	489	10	candidates	candidate	NOUN
dti-1366	489	11	.	.	PUNCT
dti-1366	490	1	j	j	PROPN
dti-1366	490	2	med	med	PROPN
dti-1366	490	3	chem	chem	NOUN
dti-1366	490	4	.	.	PUNCT
dti-1366	491	1	2002;45:2615–2623	2002;45:2615–2623	NUM
dti-1366	491	2	.	.	PUNCT
dti-1366	492	1	61	61	NUM
dti-1366	492	2	.	.	PUNCT
dti-1366	493	1	benigni	benigni	PROPN
dti-1366	493	2	r	r	PROPN
dti-1366	493	3	,	,	PUNCT
dti-1366	493	4	bossa	bossa	NOUN
dti-1366	493	5	c	c	PROPN
dti-1366	493	6	,	,	PUNCT
dti-1366	493	7	jeliazkova	jeliazkova	PROPN
dti-1366	493	8	n	n	CCONJ
dti-1366	493	9	,	,	PUNCT
dti-1366	493	10	netzeva	netzeva	PROPN
dti-1366	493	11	t	t	PROPN
dti-1366	493	12	,	,	PUNCT
dti-1366	493	13	worth	worth	ADJ
dti-1366	493	14	a.	a.	NOUN
dti-1366	493	15	the	the	DET
dti-1366	493	16	benigni	benigni	PROPN
dti-1366	493	17	/	/	SYM
dti-1366	493	18	bossa	bossa	NOUN
dti-1366	493	19	rulebase	rulebase	NOUN
dti-1366	493	20	for	for	ADP
dti-1366	493	21	mutagenicity	mutagenicity	NOUN
dti-1366	493	22	and	and	CCONJ
dti-1366	493	23	carcinogenicity	carcinogenicity	NOUN
dti-1366	493	24	—	—	PUNCT
dti-1366	493	25	a	a	DET
dti-1366	493	26	module	module	NOUN
dti-1366	493	27	of	of	ADP
dti-1366	493	28	toxtree	toxtree	NOUN
dti-1366	493	29	.	.	PUNCT
dti-1366	494	1	https://	https://	PROPN
dti-1366	494	2	eurl-ecvam.jrc.ec.europa.eu/laboratories-research/predictive_toxicology/doc/	eurl-ecvam.jrc.ec.europa.eu/laboratories-research/predictive_toxicology/doc/	PROPN
dti-1366	494	3	eur_23241_en.pdf	eur_23241_en.pdf	NOUN
dti-1366	494	4	.	.	PUNCT
dti-1366	495	1	published	publish	VERB
dti-1366	495	2	2008	2008	NUM
dti-1366	495	3	.	.	PUNCT
dti-1366	496	1	62	62	NUM
dti-1366	496	2	.	.	PUNCT
dti-1366	497	1	osiris	osiris	PROPN
dti-1366	497	2	property	property	NOUN
dti-1366	497	3	explorer	explorer	NOUN
dti-1366	497	4	.	.	PUNCT
dti-1366	498	1	http://www.organic-chemistry.org/prog/peo/.	http://www.organic-chemistry.org/prog/peo/.	PRON
dti-1366	498	2	accessed	access	VERB
dti-1366	498	3	may	may	PROPN
dti-1366	498	4	26	26	NUM
dti-1366	498	5	,	,	PUNCT
dti-1366	498	6	2015	2015	NUM
dti-1366	498	7	.	.	PUNCT
dti-1366	499	1	63	63	NUM
dti-1366	499	2	.	.	PUNCT
dti-1366	500	1	jarrahpour	jarrahpour	VERB
dti-1366	500	2	a	a	DET
dti-1366	500	3	,	,	PUNCT
dti-1366	500	4	motamedifar	motamedifar	ADJ
dti-1366	500	5	m	m	NOUN
dti-1366	500	6	,	,	PUNCT
dti-1366	500	7	zarei	zarei	PROPN
dti-1366	500	8	m	m	PROPN
dti-1366	500	9	,	,	PUNCT
dti-1366	500	10	et	et	PROPN
dti-1366	500	11	al	al	PROPN
dti-1366	500	12	.	.	PROPN
dti-1366	500	13	petra	petra	PROPN
dti-1366	500	14	,	,	PUNCT
dti-1366	500	15	osiris	osiris	PROPN
dti-1366	500	16	,	,	PUNCT
dti-1366	500	17	and	and	CCONJ
dti-1366	500	18	molinspiration	molinspiration	NOUN
dti-1366	500	19	together	together	ADV
dti-1366	500	20	as	as	ADP
dti-1366	500	21	a	a	DET
dti-1366	500	22	guide	guide	NOUN
dti-1366	500	23	in	in	ADP
dti-1366	500	24	drug	drug	NOUN
dti-1366	500	25	design	design	NOUN
dti-1366	500	26	:	:	PUNCT
dti-1366	500	27	predictions	prediction	NOUN
dti-1366	500	28	and	and	CCONJ
dti-1366	500	29	correlation	correlation	NOUN
dti-1366	500	30	structure	structure	NOUN
dti-1366	500	31	/	/	SYM
dti-1366	500	32	antibacterial	antibacterial	ADJ
dti-1366	500	33	activity	activity	NOUN
dti-1366	500	34	relationships	relationship	NOUN
dti-1366	500	35	of	of	ADP
dti-1366	500	36	new	new	ADJ
dti-1366	500	37	n	n	CCONJ
dti-1366	500	38	-	-	PUNCT
dti-1366	500	39	sulfonyl	sulfonyl	NOUN
dti-1366	500	40	monocyclic	monocyclic	ADJ
dti-1366	500	41	β	β	NOUN
dti-1366	500	42	-	-	NOUN
dti-1366	500	43	lactams	lactam	NOUN
dti-1366	500	44	.	.	PUNCT
dti-1366	501	1	phosphorus	phosphorus	NOUN
dti-1366	501	2	sulfur	sulfur	NOUN
dti-1366	501	3	silicon	silicon	NOUN
dti-1366	501	4	relat	relat	PROPN
dti-1366	501	5	elem	elem	NOUN
dti-1366	501	6	.	.	PUNCT
dti-1366	502	1	2010;185:491–497	2010;185:491–497	NUM
dti-1366	502	2	.	.	PUNCT
dti-1366	503	1	64	64	NUM
dti-1366	503	2	.	.	PUNCT
dti-1366	504	1	lipinski	lipinski	PROPN
dti-1366	504	2	ca	ca	PROPN
dti-1366	504	3	.	.	PUNCT
dti-1366	504	4	drug	drug	NOUN
dti-1366	504	5	-	-	PUNCT
dti-1366	504	6	like	like	ADJ
dti-1366	504	7	properties	property	NOUN
dti-1366	504	8	and	and	CCONJ
dti-1366	504	9	the	the	DET
dti-1366	504	10	causes	cause	NOUN
dti-1366	504	11	of	of	ADP
dti-1366	504	12	poor	poor	ADJ
dti-1366	504	13	solubility	solubility	NOUN
dti-1366	504	14	and	and	CCONJ
dti-1366	504	15	poor	poor	ADJ
dti-1366	504	16	permeability	permeability	NOUN
dti-1366	504	17	.	.	PUNCT
dti-1366	505	1	j	j	PROPN
dti-1366	505	2	pharmacol	pharmacol	PROPN
dti-1366	505	3	toxicol	toxicol	PROPN
dti-1366	505	4	methods	method	NOUN
dti-1366	505	5	.	.	PUNCT
dti-1366	506	1	2000;44:235–249	2000;44:235–249	NUM
dti-1366	506	2	.	.	PUNCT
dti-1366	507	1	65	65	NUM
dti-1366	507	2	.	.	PUNCT
dti-1366	508	1	lipinski	lipinski	PROPN
dti-1366	508	2	ca	ca	PROPN
dti-1366	508	3	,	,	PUNCT
dti-1366	508	4	lombardo	lombardo	PROPN
dti-1366	508	5	f	f	PROPN
dti-1366	508	6	,	,	PUNCT
dti-1366	508	7	dominy	dominy	ADJ
dti-1366	508	8	bw	bw	NOUN
dti-1366	508	9	,	,	PUNCT
dti-1366	508	10	feeney	feeney	PROPN
dti-1366	508	11	pj	pj	PROPN
dti-1366	508	12	.	.	PROPN
dti-1366	509	1	experimental	experimental	ADJ
dti-1366	509	2	and	and	CCONJ
dti-1366	509	3	computational	computational	ADJ
dti-1366	509	4	approaches	approach	NOUN
dti-1366	509	5	to	to	PART
dti-1366	509	6	estimate	estimate	VERB
dti-1366	509	7	solubility	solubility	NOUN
dti-1366	509	8	and	and	CCONJ
dti-1366	509	9	permeability	permeability	NOUN
dti-1366	509	10	in	in	ADP
dti-1366	509	11	drug	drug	NOUN
dti-1366	509	12	discovery	discovery	NOUN
dti-1366	509	13	and	and	CCONJ
dti-1366	509	14	development	development	NOUN
dti-1366	509	15	settings	setting	NOUN
dti-1366	509	16	.	.	PUNCT
dti-1366	510	1	adv	adv	PROPN
dti-1366	510	2	drug	drug	PROPN
dti-1366	510	3	deliv	deliv	PROPN
dti-1366	510	4	rev	rev	VERB
dti-1366	510	5	.	.	PROPN
dti-1366	510	6	1997;23:3–25	1997;23:3–25	NUM
dti-1366	510	7	.	.	X
dti-1366	511	1	66	66	NUM
dti-1366	511	2	.	.	PUNCT
dti-1366	512	1	wagner	wagner	PROPN
dti-1366	512	2	s	s	PROPN
dti-1366	512	3	,	,	PUNCT
dti-1366	512	4	steinmetz	steinmetz	PROPN
dti-1366	512	5	m	m	PROPN
dti-1366	512	6	,	,	PUNCT
dti-1366	512	7	bode	bode	VERB
dti-1366	512	8	a	a	PRON
dti-1366	512	9	,	,	PUNCT
dti-1366	512	10	müller	müller	PROPN
dti-1366	512	11	mm	mm	PROPN
dti-1366	512	12	.	.	PUNCT
dti-1366	513	1	high	high	ADJ
dti-1366	513	2	performance	performance	NOUN
dti-1366	513	3	computing	computing	NOUN
dti-1366	513	4	in	in	ADP
dti-1366	513	5	science	science	NOUN
dti-1366	513	6	and	and	CCONJ
dti-1366	513	7	engineering	engineering	NOUN
dti-1366	513	8	,	,	PUNCT
dti-1366	513	9	garching	garching	NOUN
dti-1366	513	10	/	/	SYM
dti-1366	513	11	munich	munich	PROPN
dti-1366	513	12	2009	2009	NUM
dti-1366	513	13	(	(	PUNCT
dti-1366	513	14	transactions	transaction	NOUN
dti-1366	513	15	of	of	ADP
dti-1366	513	16	the	the	DET
dti-1366	513	17	fourth	fourth	ADJ
dti-1366	513	18	joint	joint	ADJ
dti-1366	513	19	hlrb	hlrb	NOUN
dti-1366	513	20	and	and	CCONJ
dti-1366	513	21	konwihr	konwihr	VERB
dti-1366	513	22	review	review	NOUN
dti-1366	513	23	and	and	CCONJ
dti-1366	513	24	results	result	VERB
dti-1366	513	25	workshop	workshop	NOUN
dti-1366	513	26	,	,	PUNCT
dti-1366	513	27	dec	dec	PROPN
dti-1366	513	28	.	.	PROPN
dti-1366	513	29	8–9	8–9	PROPN
dti-1366	513	30	,	,	PUNCT
dti-1366	513	31	2009	2009	NUM
dti-1366	513	32	,	,	PUNCT
dti-1366	513	33	leibniz	leibniz	PROPN
dti-1366	513	34	supercomputing	supercomputing	PROPN
dti-1366	513	35	centre	centre	PROPN
dti-1366	513	36	,	,	PUNCT
dti-1366	513	37	garching	garching	NOUN
dti-1366	513	38	/	/	SYM
dti-1366	513	39	munich	munich	PROPN
dti-1366	513	40	,	,	PUNCT
dti-1366	513	41	germany	germany	PROPN
dti-1366	513	42	)	)	PUNCT
dti-1366	513	43	.	.	PUNCT
dti-1366	514	1	berlin	berlin	PROPN
dti-1366	514	2	,	,	PUNCT
dti-1366	514	3	germany	germany	PROPN
dti-1366	514	4	:	:	PUNCT
dti-1366	514	5	springer	springer	NOUN
dti-1366	514	6	;	;	PUNCT
dti-1366	514	7	2010	2010	NUM
dti-1366	514	8	.	.	PUNCT
dti-1366	515	1	67	67	NUM
dti-1366	515	2	.	.	PUNCT
dti-1366	516	1	sharma	sharma	PROPN
dti-1366	516	2	rd	rd	PROPN
dti-1366	516	3	,	,	PUNCT
dti-1366	516	4	lynn	lynn	PROPN
dti-1366	516	5	am	am	PROPN
dti-1366	516	6	,	,	PUNCT
dti-1366	516	7	sharma	sharma	PROPN
dti-1366	516	8	pk	pk	PROPN
dti-1366	516	9	,	,	PUNCT
dti-1366	516	10	rajnee	rajnee	NOUN
dti-1366	516	11	jawaid	jawaid	PROPN
dti-1366	516	12	s.	s.	PROPN
dti-1366	516	13	high	high	ADJ
dti-1366	516	14	temperature	temperature	NOUN
dti-1366	516	15	unfolding	unfolding	NOUN
dti-1366	516	16	of	of	ADP
dti-1366	516	17	bacillus	bacillus	NOUN
dti-1366	516	18	anthracis	anthracis	NOUN
dti-1366	516	19	amidase-03	amidase-03	PROPN
dti-1366	516	20	by	by	ADP
dti-1366	516	21	molecular	molecular	ADJ
dti-1366	516	22	dynamics	dynamic	NOUN
dti-1366	516	23	simulations	simulation	NOUN
dti-1366	516	24	.	.	PUNCT
dti-1366	517	1	bioinformation	bioinformation	NOUN
dti-1366	517	2	.	.	PUNCT
dti-1366	518	1	2009;3:430–434	2009;3:430–434	NUM
dti-1366	518	2	.	.	PUNCT
dti-1366	519	1	http://toxtree.sourceforge.net/	http://toxtree.sourceforge.net/	PROPN
dti-1366	519	2	http://toxtree.sourceforge.net/	http://toxtree.sourceforge.net/	PROPN
dti-1366	519	3	https://www.ncbi.nlm.nih.gov/refseq/	https://www.ncbi.nlm.nih.gov/refseq/	PROPN
dti-1366	519	4	http://www8.cs.umu.se/education/examina/rapporter/evanylander.pdf	http://www8.cs.umu.se/education/examina/rapporter/evanylander.pdf	NOUN
dti-1366	519	5	http://www8.cs.umu.se/education/examina/rapporter/evanylander.pdf	http://www8.cs.umu.se/education/examina/rapporter/evanylander.pdf	PROPN
dti-1366	519	6	https://ilab.acdlabs.com/ilab2/index.php	https://ilab.acdlabs.com/ilab2/index.php	PROPN
dti-1366	520	1	https://eurl-ecvam.jrc.ec.europa.eu/laboratories-research/predictive_toxicology/doc/eur_23241_en.pdf	https://eurl-ecvam.jrc.ec.europa.eu/laboratories-research/predictive_toxicology/doc/eur_23241_en.pdf	PROPN
dti-1366	520	2	https://eurl-ecvam.jrc.ec.europa.eu/laboratories-research/predictive_toxicology/doc/eur_23241_en.pdf	https://eurl-ecvam.jrc.ec.europa.eu/laboratories-research/predictive_toxicology/doc/eur_23241_en.pdf	PROPN
dti-1366	520	3	https://eurl-ecvam.jrc.ec.europa.eu/laboratories-research/predictive_toxicology/doc/eur_23241_en.pdf	https://eurl-ecvam.jrc.ec.europa.eu/laboratories-research/predictive_toxicology/doc/eur_23241_en.pdf	NOUN
dti-1366	520	4	http://http://www.organic	http://http://www.organic	ADJ
dti-1366	520	5	-	-	PUNCT
dti-1366	520	6	chemistry.org	chemistry.org	PRON
dti-1366	520	7	/	/	SYM
dti-1366	520	8	prog	prog	NOUN
dti-1366	520	9	/	/	SYM
dti-1366	520	10	peo/	peo/	NOUN