id	sid	tid	token	lemma	pos
ajfsoa-116	1	1	african	african	ADJ
ajfsoa-116	1	2	journal	journal	PROPN
ajfsoa-116	1	3	of	of	ADP
ajfsoa-116	1	4	food	food	NOUN
ajfsoa-116	1	5	science	science	NOUN
ajfsoa-116	1	6	research	research	NOUN
ajfsoa-116	1	7	vol	vol	NOUN
ajfsoa-116	1	8	.	.	PROPN
ajfsoa-116	1	9	2	2	NUM
ajfsoa-116	1	10	(	(	PUNCT
ajfsoa-116	1	11	4	4	NUM
ajfsoa-116	1	12	)	)	PUNCT
ajfsoa-116	1	13	,	,	PUNCT
ajfsoa-116	1	14	pp	pp	PROPN
ajfsoa-116	1	15	.	.	PUNCT
ajfsoa-116	2	1	071	071	NUM
ajfsoa-116	2	2	-	-	SYM
ajfsoa-116	2	3	073	073	NUM
ajfsoa-116	2	4	,	,	PUNCT
ajfsoa-116	2	5	april	april	PROPN
ajfsoa-116	2	6	,	,	PUNCT
ajfsoa-116	2	7	2014	2014	NUM
ajfsoa-116	2	8	.	.	PUNCT
ajfsoa-116	3	1	available	available	ADJ
ajfsoa-116	3	2	online	online	ADV
ajfsoa-116	3	3	at	at	ADP
ajfsoa-116	3	4	www.internationalscholarsjournals.org	www.internationalscholarsjournals.org	PROPN
ajfsoa-116	3	5	©	©	PROPN
ajfsoa-116	3	6	international	international	ADJ
ajfsoa-116	3	7	scholars	scholar	NOUN
ajfsoa-116	3	8	journals	journal	VERB
ajfsoa-116	3	9	full	full	ADJ
ajfsoa-116	3	10	length	length	NOUN
ajfsoa-116	3	11	research	research	NOUN
ajfsoa-116	3	12	paper	paper	NOUN
ajfsoa-116	3	13	study	study	NOUN
ajfsoa-116	3	14	on	on	ADP
ajfsoa-116	3	15	the	the	DET
ajfsoa-116	3	16	angiotensin	angiotensin	NOUN
ajfsoa-116	3	17	converting	convert	VERB
ajfsoa-116	3	18	enzyme	enzyme	NOUN
ajfsoa-116	3	19	inhibiting	inhibit	VERB
ajfsoa-116	3	20	properties	property	NOUN
ajfsoa-116	3	21	of	of	ADP
ajfsoa-116	3	22	the	the	DET
ajfsoa-116	3	23	terpenoid	terpenoid	NOUN
ajfsoa-116	3	24	extract	extract	NOUN
ajfsoa-116	3	25	of	of	ADP
ajfsoa-116	3	26	(	(	PUNCT
ajfsoa-116	3	27	crataegus	crataegus	NOUN
ajfsoa-116	3	28	monogyna	monogyna	PROPN
ajfsoa-116	3	29	)	)	PUNCT
ajfsoa-116	3	30	habib	habib	PROPN
ajfsoa-116	3	31	naeem	naeem	PROPN
ajfsoa-116	3	32	,	,	PUNCT
ajfsoa-116	3	33	hasnain	hasnain	PROPN
ajfsoa-116	3	34	haider	haider	PROPN
ajfsoa-116	3	35	,	,	PUNCT
ajfsoa-116	3	36	yaseen	yaseen	PROPN
ajfsoa-116	3	37	b.	b.	PROPN
ajfsoa-116	3	38	department	department	PROPN
ajfsoa-116	3	39	of	of	ADP
ajfsoa-116	3	40	microbiology	microbiology	NOUN
ajfsoa-116	3	41	,	,	PUNCT
ajfsoa-116	3	42	school	school	NOUN
ajfsoa-116	3	43	of	of	ADP
ajfsoa-116	3	44	medicine	medicine	NOUN
ajfsoa-116	3	45	,	,	PUNCT
ajfsoa-116	3	46	infectious	infectious	ADJ
ajfsoa-116	3	47	and	and	CCONJ
ajfsoa-116	3	48	tropical	tropical	ADJ
ajfsoa-116	3	49	diseases	disease	NOUN
ajfsoa-116	3	50	research	research	NOUN
ajfsoa-116	3	51	,	,	PUNCT
ajfsoa-116	3	52	ahvaz	ahvaz	PROPN
ajfsoa-116	3	53	jundishapur	jundishapur	PROPN
ajfsoa-116	3	54	university	university	PROPN
ajfsoa-116	3	55	of	of	ADP
ajfsoa-116	3	56	medical	medical	ADJ
ajfsoa-116	3	57	sciences	science	NOUN
ajfsoa-116	3	58	,	,	PUNCT
ajfsoa-116	3	59	ahvaz	ahvaz	PROPN
ajfsoa-116	3	60	,	,	PUNCT
ajfsoa-116	3	61	iran	iran	PROPN
ajfsoa-116	3	62	.	.	PUNCT
ajfsoa-116	4	1	accepted	accept	VERB
ajfsoa-116	4	2	11	11	NUM
ajfsoa-116	4	3	march	march	NOUN
ajfsoa-116	4	4	,	,	PUNCT
ajfsoa-116	4	5	2014	2014	NUM
ajfsoa-116	4	6	crataegus	crataegus	NOUN
ajfsoa-116	4	7	monogyna	monogyna	NOUN
ajfsoa-116	4	8	is	be	AUX
ajfsoa-116	4	9	mainly	mainly	ADV
ajfsoa-116	4	10	used	use	VERB
ajfsoa-116	4	11	in	in	ADP
ajfsoa-116	4	12	the	the	DET
ajfsoa-116	4	13	treatment	treatment	NOUN
ajfsoa-116	4	14	of	of	ADP
ajfsoa-116	4	15	cardiac	cardiac	ADJ
ajfsoa-116	4	16	and	and	CCONJ
ajfsoa-116	4	17	circulatory	circulatory	ADJ
ajfsoa-116	4	18	system	system	NOUN
ajfsoa-116	4	19	disorders	disorder	NOUN
ajfsoa-116	4	20	.	.	PUNCT
ajfsoa-116	5	1	in	in	ADP
ajfsoa-116	5	2	vitro	vitro	X
ajfsoa-116	5	3	and	and	CCONJ
ajfsoa-116	5	4	clinical	clinical	ADJ
ajfsoa-116	5	5	studies	study	NOUN
ajfsoa-116	5	6	are	be	AUX
ajfsoa-116	5	7	indicative	indicative	ADJ
ajfsoa-116	5	8	of	of	ADP
ajfsoa-116	5	9	the	the	DET
ajfsoa-116	5	10	fact	fact	NOUN
ajfsoa-116	5	11	that	that	SCONJ
ajfsoa-116	5	12	the	the	DET
ajfsoa-116	5	13	hydroethanolic	hydroethanolic	ADJ
ajfsoa-116	5	14	extract	extract	NOUN
ajfsoa-116	5	15	of	of	ADP
ajfsoa-116	5	16	c.	c.	NOUN
ajfsoa-116	5	17	monogyna	monogyna	PROPN
ajfsoa-116	5	18	has	have	AUX
ajfsoa-116	5	19	angiotensin	angiotensin	NOUN
ajfsoa-116	5	20	converting	convert	VERB
ajfsoa-116	5	21	enzyme	enzyme	NOUN
ajfsoa-116	5	22	(	(	PUNCT
ajfsoa-116	5	23	ace	ace	NOUN
ajfsoa-116	5	24	)	)	PUNCT
ajfsoa-116	5	25	inhibitory	inhibitory	ADJ
ajfsoa-116	5	26	activity	activity	NOUN
ajfsoa-116	5	27	.	.	PUNCT
ajfsoa-116	6	1	this	this	DET
ajfsoa-116	6	2	study	study	NOUN
ajfsoa-116	6	3	sought	seek	VERB
ajfsoa-116	6	4	to	to	PART
ajfsoa-116	6	5	support	support	VERB
ajfsoa-116	6	6	these	these	DET
ajfsoa-116	6	7	claims	claim	NOUN
ajfsoa-116	6	8	through	through	ADP
ajfsoa-116	6	9	the	the	DET
ajfsoa-116	6	10	use	use	NOUN
ajfsoa-116	6	11	of	of	ADP
ajfsoa-116	6	12	in	in	ADP
ajfsoa-116	6	13	silico	silico	NOUN
ajfsoa-116	6	14	modelling	model	VERB
ajfsoa-116	6	15	techniques	technique	NOUN
ajfsoa-116	6	16	.	.	PUNCT
ajfsoa-116	7	1	possible	possible	ADJ
ajfsoa-116	7	2	binding	binding	ADJ
ajfsoa-116	7	3	conformations	conformation	NOUN
ajfsoa-116	7	4	for	for	ADP
ajfsoa-116	7	5	β	β	NOUN
ajfsoa-116	7	6	-	-	NOUN
ajfsoa-116	7	7	amyrin	amyrin	ADJ
ajfsoa-116	7	8	,	,	PUNCT
ajfsoa-116	7	9	oleanolic	oleanolic	NOUN
ajfsoa-116	7	10	acid	acid	NOUN
ajfsoa-116	7	11	and	and	CCONJ
ajfsoa-116	7	12	ursolic	ursolic	ADJ
ajfsoa-116	7	13	acid	acid	NOUN
ajfsoa-116	7	14	were	be	AUX
ajfsoa-116	7	15	generated	generate	VERB
ajfsoa-116	7	16	using	use	VERB
ajfsoa-116	7	17	captopril	captopril	NOUN
ajfsoa-116	7	18	,	,	PUNCT
ajfsoa-116	7	19	as	as	ADV
ajfsoa-116	7	20	well	well	ADV
ajfsoa-116	7	21	as	as	ADP
ajfsoa-116	7	22	enalaprilat	enalaprilat	ADJ
ajfsoa-116	7	23	and	and	CCONJ
ajfsoa-116	7	24	lisinopril	lisinopril	PROPN
ajfsoa-116	7	25	,	,	PUNCT
ajfsoa-116	7	26	as	as	ADP
ajfsoa-116	7	27	template	template	NOUN
ajfsoa-116	7	28	ligands	ligand	NOUN
ajfsoa-116	7	29	.	.	PUNCT
ajfsoa-116	8	1	the	the	DET
ajfsoa-116	8	2	ligand	ligand	ADJ
ajfsoa-116	8	3	binding	bind	VERB
ajfsoa-116	8	4	affinity	affinity	NOUN
ajfsoa-116	8	5	(	(	PUNCT
ajfsoa-116	8	6	lba	lba	PROPN
ajfsoa-116	8	7	)	)	PUNCT
ajfsoa-116	8	8	of	of	ADP
ajfsoa-116	8	9	each	each	PRON
ajfsoa-116	8	10	was	be	AUX
ajfsoa-116	8	11	calculated	calculate	VERB
ajfsoa-116	8	12	and	and	CCONJ
ajfsoa-116	8	13	the	the	DET
ajfsoa-116	8	14	best	good	ADJ
ajfsoa-116	8	15	binding	bind	VERB
ajfsoa-116	8	16	conformation	conformation	NOUN
ajfsoa-116	8	17	of	of	ADP
ajfsoa-116	8	18	each	each	DET
ajfsoa-116	8	19	triterpene	triterpene	NOUN
ajfsoa-116	8	20	was	be	AUX
ajfsoa-116	8	21	established	establish	VERB
ajfsoa-116	8	22	.	.	PUNCT
ajfsoa-116	9	1	results	result	NOUN
ajfsoa-116	9	2	indicate	indicate	VERB
ajfsoa-116	9	3	that	that	SCONJ
ajfsoa-116	9	4	these	these	DET
ajfsoa-116	9	5	naturally	naturally	ADV
ajfsoa-116	9	6	occuring	occur	VERB
ajfsoa-116	9	7	terpenes	terpene	NOUN
ajfsoa-116	9	8	possess	possess	NOUN
ajfsoa-116	9	9	in	in	ADP
ajfsoa-116	9	10	silico	silico	NOUN
ajfsoa-116	9	11	predicted	predict	VERB
ajfsoa-116	9	12	ligand	ligand	ADJ
ajfsoa-116	9	13	binding	bind	VERB
ajfsoa-116	9	14	affinities	affinity	NOUN
ajfsoa-116	9	15	that	that	PRON
ajfsoa-116	9	16	are	be	AUX
ajfsoa-116	9	17	superior	superior	ADJ
ajfsoa-116	9	18	to	to	ADP
ajfsoa-116	9	19	both	both	CCONJ
ajfsoa-116	9	20	the	the	DET
ajfsoa-116	9	21	small	small	ADJ
ajfsoa-116	9	22	molecule	molecule	NOUN
ajfsoa-116	9	23	captopril	captopril	NOUN
ajfsoa-116	9	24	and	and	CCONJ
ajfsoa-116	9	25	the	the	DET
ajfsoa-116	9	26	larger	large	ADJ
ajfsoa-116	9	27	molecules	molecule	NOUN
ajfsoa-116	9	28	enalaprilat	enalaprilat	ADJ
ajfsoa-116	9	29	and	and	CCONJ
ajfsoa-116	9	30	lisinopril	lisinopril	PROPN
ajfsoa-116	9	31	.	.	PUNCT
ajfsoa-116	10	1	key	key	ADJ
ajfsoa-116	10	2	words	word	NOUN
ajfsoa-116	10	3	:	:	PUNCT
ajfsoa-116	10	4	crataegus	crataegus	NOUN
ajfsoa-116	10	5	monogyna	monogyna	NOUN
ajfsoa-116	10	6	,	,	PUNCT
ajfsoa-116	10	7	hydroethanolic	hydroethanolic	ADJ
ajfsoa-116	10	8	extract	extract	NOUN
ajfsoa-116	10	9	,	,	PUNCT
ajfsoa-116	10	10	angiotensin	angiotensin	NOUN
ajfsoa-116	10	11	converting	convert	VERB
ajfsoa-116	10	12	enzyme	enzyme	NOUN
ajfsoa-116	10	13	(	(	PUNCT
ajfsoa-116	10	14	ace	ace	NOUN
ajfsoa-116	10	15	)	)	PUNCT
ajfsoa-116	10	16	inhibition	inhibition	NOUN
ajfsoa-116	10	17	,	,	PUNCT
ajfsoa-116	10	18	in	in	ADP
ajfsoa-116	10	19	silico	silico	NOUN
ajfsoa-116	10	20	.	.	PUNCT
ajfsoa-116	11	1	introduction	introduction	NOUN
ajfsoa-116	11	2	hypertension	hypertension	NOUN
ajfsoa-116	11	3	is	be	AUX
ajfsoa-116	11	4	recognised	recognise	VERB
ajfsoa-116	11	5	as	as	ADP
ajfsoa-116	11	6	being	be	AUX
ajfsoa-116	11	7	one	one	NUM
ajfsoa-116	11	8	of	of	ADP
ajfsoa-116	11	9	the	the	DET
ajfsoa-116	11	10	most	most	ADV
ajfsoa-116	11	11	preventable	preventable	ADJ
ajfsoa-116	11	12	causes	cause	NOUN
ajfsoa-116	11	13	of	of	ADP
ajfsoa-116	11	14	premature	premature	ADJ
ajfsoa-116	11	15	morbidity	morbidity	NOUN
ajfsoa-116	11	16	and	and	CCONJ
ajfsoa-116	11	17	mortality	mortality	NOUN
ajfsoa-116	11	18	.	.	PUNCT
ajfsoa-116	12	1	the	the	DET
ajfsoa-116	12	2	world	world	PROPN
ajfsoa-116	12	3	health	health	PROPN
ajfsoa-116	12	4	organization	organization	NOUN
ajfsoa-116	12	5	(	(	PUNCT
ajfsoa-116	12	6	who	who	PRON
ajfsoa-116	12	7	)	)	PUNCT
ajfsoa-116	12	8	statistics	statistic	NOUN
ajfsoa-116	12	9	indicate	indicate	VERB
ajfsoa-116	12	10	that	that	SCONJ
ajfsoa-116	12	11	hypertension	hypertension	NOUN
ajfsoa-116	12	12	affects	affect	VERB
ajfsoa-116	12	13	approximately	approximately	ADV
ajfsoa-116	12	14	40	40	NUM
ajfsoa-116	12	15	%	%	NOUN
ajfsoa-116	12	16	of	of	ADP
ajfsoa-116	12	17	all	all	DET
ajfsoa-116	12	18	individuals	individual	NOUN
ajfsoa-116	12	19	aged	age	VERB
ajfsoa-116	12	20	25	25	NUM
ajfsoa-116	12	21	years	year	NOUN
ajfsoa-116	12	22	and	and	CCONJ
ajfsoa-116	12	23	over	over	ADV
ajfsoa-116	12	24	.	.	PUNCT
ajfsoa-116	13	1	it	it	PRON
ajfsoa-116	13	2	is	be	AUX
ajfsoa-116	13	3	prevalent	prevalent	ADJ
ajfsoa-116	13	4	worldwide	worldwide	ADV
ajfsoa-116	13	5	in	in	ADP
ajfsoa-116	13	6	both	both	DET
ajfsoa-116	13	7	developed	developed	ADJ
ajfsoa-116	13	8	and	and	CCONJ
ajfsoa-116	13	9	developing	develop	VERB
ajfsoa-116	13	10	countries	country	NOUN
ajfsoa-116	13	11	(	(	PUNCT
ajfsoa-116	13	12	who	who	PRON
ajfsoa-116	13	13	,	,	PUNCT
ajfsoa-116	13	14	2012	2012	NUM
ajfsoa-116	13	15	)	)	PUNCT
ajfsoa-116	13	16	.	.	PUNCT
ajfsoa-116	14	1	the	the	DET
ajfsoa-116	14	2	majority	majority	NOUN
ajfsoa-116	14	3	of	of	ADP
ajfsoa-116	14	4	hypertensive	hypertensive	ADJ
ajfsoa-116	14	5	patients	patient	NOUN
ajfsoa-116	14	6	currently	currently	ADV
ajfsoa-116	14	7	rely	rely	VERB
ajfsoa-116	14	8	on	on	ADP
ajfsoa-116	14	9	the	the	DET
ajfsoa-116	14	10	use	use	NOUN
ajfsoa-116	14	11	of	of	ADP
ajfsoa-116	14	12	angiotensin	angiotensin	NOUN
ajfsoa-116	14	13	converting	convert	VERB
ajfsoa-116	14	14	enzyme	enzyme	NOUN
ajfsoa-116	14	15	(	(	PUNCT
ajfsoa-116	14	16	ace	ace	NOUN
ajfsoa-116	14	17	)	)	PUNCT
ajfsoa-116	14	18	inhibitors	inhibitor	NOUN
ajfsoa-116	14	19	for	for	ADP
ajfsoa-116	14	20	management	management	NOUN
ajfsoa-116	14	21	of	of	ADP
ajfsoa-116	14	22	their	their	PRON
ajfsoa-116	14	23	condition	condition	NOUN
ajfsoa-116	14	24	(	(	PUNCT
ajfsoa-116	14	25	sweileh	sweileh	NOUN
ajfsoa-116	14	26	et	et	PROPN
ajfsoa-116	14	27	al	al	PROPN
ajfsoa-116	14	28	.	.	PROPN
ajfsoa-116	14	29	,	,	PUNCT
ajfsoa-116	14	30	2009	2009	NUM
ajfsoa-116	14	31	)	)	PUNCT
ajfsoa-116	14	32	.	.	PUNCT
ajfsoa-116	15	1	in	in	ADP
ajfsoa-116	15	2	silico	silico	NOUN
ajfsoa-116	15	3	models	model	NOUN
ajfsoa-116	15	4	are	be	AUX
ajfsoa-116	15	5	of	of	ADP
ajfsoa-116	15	6	value	value	NOUN
ajfsoa-116	15	7	in	in	ADP
ajfsoa-116	15	8	that	that	SCONJ
ajfsoa-116	15	9	they	they	PRON
ajfsoa-116	15	10	allow	allow	VERB
ajfsoa-116	15	11	virtual	virtual	ADJ
ajfsoa-116	15	12	screening	screening	NOUN
ajfsoa-116	15	13	for	for	ADP
ajfsoa-116	15	14	desirable	desirable	ADJ
ajfsoa-116	15	15	properties	property	NOUN
ajfsoa-116	15	16	and	and	CCONJ
ajfsoa-116	15	17	further	further	ADJ
ajfsoa-116	15	18	optimization	optimization	NOUN
ajfsoa-116	15	19	*	*	PUNCT
ajfsoa-116	15	20	corresponding	correspond	VERB
ajfsoa-116	15	21	author	author	NOUN
ajfsoa-116	15	22	.	.	PUNCT
ajfsoa-116	16	1	e-mail:habib_n@gmail.com	e-mail:habib_n@gmail.com	PROPN
ajfsoa-116	16	2	optimization	optimization	NOUN
ajfsoa-116	16	3	of	of	ADP
ajfsoa-116	16	4	identified	identify	VERB
ajfsoa-116	16	5	lead	lead	ADJ
ajfsoa-116	16	6	candidate	candidate	NOUN
ajfsoa-116	16	7	molecules	molecule	NOUN
ajfsoa-116	16	8	,	,	PUNCT
ajfsoa-116	16	9	thus	thus	ADV
ajfsoa-116	16	10	drastically	drastically	ADV
ajfsoa-116	16	11	lowering	lower	VERB
ajfsoa-116	16	12	financial	financial	ADJ
ajfsoa-116	16	13	and	and	CCONJ
ajfsoa-116	16	14	time	time	NOUN
ajfsoa-116	16	15	requirements	requirement	NOUN
ajfsoa-116	16	16	for	for	ADP
ajfsoa-116	16	17	the	the	DET
ajfsoa-116	16	18	chemical	chemical	ADJ
ajfsoa-116	16	19	synthesis	synthesis	NOUN
ajfsoa-116	16	20	and	and	CCONJ
ajfsoa-116	16	21	biological	biological	ADJ
ajfsoa-116	16	22	testing	testing	NOUN
ajfsoa-116	16	23	of	of	ADP
ajfsoa-116	16	24	promising	promising	ADJ
ajfsoa-116	16	25	leads	lead	NOUN
ajfsoa-116	16	26	.	.	PUNCT
ajfsoa-116	17	1	they	they	PRON
ajfsoa-116	17	2	also	also	ADV
ajfsoa-116	17	3	minimise	minimise	VERB
ajfsoa-116	17	4	animal	animal	NOUN
ajfsoa-116	17	5	testing	testing	NOUN
ajfsoa-116	17	6	;	;	PUNCT
ajfsoa-116	17	7	a	a	DET
ajfsoa-116	17	8	factor	factor	NOUN
ajfsoa-116	17	9	that	that	PRON
ajfsoa-116	17	10	should	should	AUX
ajfsoa-116	17	11	not	not	PART
ajfsoa-116	17	12	be	be	AUX
ajfsoa-116	17	13	considered	consider	VERB
ajfsoa-116	17	14	superficial	superficial	ADJ
ajfsoa-116	17	15	in	in	ADP
ajfsoa-116	17	16	the	the	DET
ajfsoa-116	17	17	highly	highly	ADV
ajfsoa-116	17	18	regulated	regulated	ADJ
ajfsoa-116	17	19	and	and	CCONJ
ajfsoa-116	17	20	ethically	ethically	ADV
ajfsoa-116	17	21	conscious	conscious	ADJ
ajfsoa-116	17	22	scenario	scenario	NOUN
ajfsoa-116	17	23	in	in	ADP
ajfsoa-116	17	24	which	which	PRON
ajfsoa-116	17	25	contemporary	contemporary	ADJ
ajfsoa-116	17	26	drug	drug	NOUN
ajfsoa-116	17	27	discovery	discovery	PROPN
ajfsoa-116	17	28	operates	operate	VERB
ajfsoa-116	17	29	(	(	PUNCT
ajfsoa-116	17	30	kapetanovic	kapetanovic	ADJ
ajfsoa-116	17	31	,	,	PUNCT
ajfsoa-116	17	32	2008	2008	NUM
ajfsoa-116	17	33	)	)	PUNCT
ajfsoa-116	17	34	.	.	PUNCT
ajfsoa-116	18	1	in	in	ADP
ajfsoa-116	18	2	vitro	vitro	X
ajfsoa-116	18	3	and	and	CCONJ
ajfsoa-116	18	4	clinical	clinical	ADJ
ajfsoa-116	18	5	studies	study	NOUN
ajfsoa-116	18	6	have	have	AUX
ajfsoa-116	18	7	indicated	indicate	VERB
ajfsoa-116	18	8	that	that	SCONJ
ajfsoa-116	18	9	the	the	DET
ajfsoa-116	18	10	triterpenic	triterpenic	ADJ
ajfsoa-116	18	11	extract	extract	NOUN
ajfsoa-116	18	12	of	of	ADP
ajfsoa-116	18	13	crataegus	crataegus	NOUN
ajfsoa-116	18	14	monogyna	monogyna	NOUN
ajfsoa-116	18	15	is	be	AUX
ajfsoa-116	18	16	capable	capable	ADJ
ajfsoa-116	18	17	of	of	ADP
ajfsoa-116	18	18	exerting	exert	VERB
ajfsoa-116	18	19	an	an	DET
ajfsoa-116	18	20	inhibitory	inhibitory	ADJ
ajfsoa-116	18	21	effect	effect	NOUN
ajfsoa-116	18	22	on	on	ADP
ajfsoa-116	18	23	the	the	DET
ajfsoa-116	18	24	ace	ace	NOUN
ajfsoa-116	18	25	(	(	PUNCT
ajfsoa-116	18	26	attard	attard	PROPN
ajfsoa-116	18	27	and	and	CCONJ
ajfsoa-116	18	28	attard	attard	PROPN
ajfsoa-116	18	29	,	,	PUNCT
ajfsoa-116	18	30	2006	2006	NUM
ajfsoa-116	18	31	)	)	PUNCT
ajfsoa-116	18	32	.	.	PUNCT
ajfsoa-116	19	1	subsequent	subsequent	ADJ
ajfsoa-116	19	2	to	to	ADP
ajfsoa-116	19	3	this	this	DET
ajfsoa-116	19	4	work	work	NOUN
ajfsoa-116	19	5	,	,	PUNCT
ajfsoa-116	19	6	we	we	PRON
ajfsoa-116	19	7	hereby	hereby	ADV
ajfsoa-116	19	8	report	report	VERB
ajfsoa-116	19	9	the	the	DET
ajfsoa-116	19	10	results	result	NOUN
ajfsoa-116	19	11	of	of	ADP
ajfsoa-116	19	12	a	a	DET
ajfsoa-116	19	13	static	static	NOUN
ajfsoa-116	19	14	in	in	ADP
ajfsoa-116	19	15	silico	silico	NOUN
ajfsoa-116	19	16	investigation	investigation	NOUN
ajfsoa-116	19	17	of	of	ADP
ajfsoa-116	19	18	the	the	DET
ajfsoa-116	19	19	ace	ace	NOUN
ajfsoa-116	19	20	and	and	CCONJ
ajfsoa-116	19	21	of	of	ADP
ajfsoa-116	19	22	the	the	DET
ajfsoa-116	19	23	molecular	molecular	ADJ
ajfsoa-116	19	24	and	and	CCONJ
ajfsoa-116	19	25	conformational	conformational	ADJ
ajfsoa-116	19	26	bases	basis	NOUN
ajfsoa-116	19	27	for	for	ADP
ajfsoa-116	19	28	the	the	DET
ajfsoa-116	19	29	ace	ace	NOUN
ajfsoa-116	19	30	inhibitory	inhibitory	ADJ
ajfsoa-116	19	31	effect	effect	NOUN
ajfsoa-116	19	32	exerted	exert	VERB
ajfsoa-116	19	33	by	by	ADP
ajfsoa-116	19	34	the	the	DET
ajfsoa-116	19	35	terpenoid	terpenoid	PROPN
ajfsoa-116	19	36	extract	extract	NOUN
ajfsoa-116	19	37	of	of	ADP
ajfsoa-116	19	38	c.	c.	PROPN
ajfsoa-116	19	39	monogyna	monogyna	PROPN
ajfsoa-116	19	40	,	,	PUNCT
ajfsoa-116	19	41	which	which	PRON
ajfsoa-116	19	42	to	to	ADP
ajfsoa-116	19	43	our	our	PRON
ajfsoa-116	19	44	knowledge	knowledge	NOUN
ajfsoa-116	19	45	has	have	AUX
ajfsoa-116	19	46	as	as	ADV
ajfsoa-116	19	47	yet	yet	ADV
ajfsoa-116	19	48	not	not	PART
ajfsoa-116	19	49	been	be	AUX
ajfsoa-116	19	50	described	describe	VERB
ajfsoa-116	19	51	.	.	PUNCT
ajfsoa-116	20	1	http://www.internationalscholarsjournals.org/	http://www.internationalscholarsjournals.org/	PROPN
ajfsoa-116	20	2	habib	habib	PROPN
ajfsoa-116	20	3	et	et	PROPN
ajfsoa-116	20	4	al	al	PROPN
ajfsoa-116	20	5	071	071	NUM
ajfsoa-116	20	6	materials	material	NOUN
ajfsoa-116	20	7	and	and	CCONJ
ajfsoa-116	20	8	methods	method	NOUN
ajfsoa-116	20	9	protein	protein	NOUN
ajfsoa-116	20	10	data	data	PROPN
ajfsoa-116	20	11	bank	bank	PROPN
ajfsoa-116	20	12	(	(	PUNCT
ajfsoa-116	20	13	pdb	pdb	NOUN
ajfsoa-116	20	14	)	)	PUNCT
ajfsoa-116	20	15	deposition	deposition	NOUN
ajfsoa-116	20	16	selection	selection	NOUN
ajfsoa-116	20	17	three	three	NUM
ajfsoa-116	20	18	protein	protein	NOUN
ajfsoa-116	20	19	data	datum	NOUN
ajfsoa-116	20	20	bank	bank	PROPN
ajfsoa-116	20	21	(	(	PUNCT
ajfsoa-116	20	22	bernstein	bernstein	PROPN
ajfsoa-116	20	23	et	et	PROPN
ajfsoa-116	20	24	al	al	PROPN
ajfsoa-116	20	25	.	.	PROPN
ajfsoa-116	20	26	,	,	PUNCT
ajfsoa-116	20	27	1977	1977	NUM
ajfsoa-116	20	28	)	)	PUNCT
ajfsoa-116	20	29	depositions	deposition	NOUN
ajfsoa-116	20	30	were	be	AUX
ajfsoa-116	20	31	selected	select	VERB
ajfsoa-116	20	32	as	as	ADP
ajfsoa-116	20	33	templates	template	NOUN
ajfsoa-116	20	34	for	for	ADP
ajfsoa-116	20	35	this	this	DET
ajfsoa-116	20	36	study	study	NOUN
ajfsoa-116	20	37	.	.	PUNCT
ajfsoa-116	21	1	these	these	PRON
ajfsoa-116	21	2	were	be	AUX
ajfsoa-116	21	3	pdb	pdb	PROPN
ajfsoa-116	21	4	ids	ids	PROPN
ajfsoa-116	21	5	1uzf	1uzf	PROPN
ajfsoa-116	21	6	(	(	PUNCT
ajfsoa-116	21	7	natesh	natesh	PROPN
ajfsoa-116	21	8	et	et	PROPN
ajfsoa-116	21	9	al	al	PROPN
ajfsoa-116	21	10	.	.	PROPN
ajfsoa-116	21	11	,	,	PUNCT
ajfsoa-116	21	12	2004	2004	NUM
ajfsoa-116	21	13	)	)	PUNCT
ajfsoa-116	21	14	,	,	PUNCT
ajfsoa-116	21	15	1uze	1uze	NUM
ajfsoa-116	21	16	(	(	PUNCT
ajfsoa-116	21	17	natesh	natesh	NOUN
ajfsoa-116	21	18	et	et	PROPN
ajfsoa-116	21	19	al	al	PROPN
ajfsoa-116	21	20	.	.	PROPN
ajfsoa-116	21	21	,	,	PUNCT
ajfsoa-116	21	22	2004	2004	NUM
ajfsoa-116	21	23	)	)	PUNCT
ajfsoa-116	21	24	and	and	CCONJ
ajfsoa-116	21	25	1o86	1o86	NUM
ajfsoa-116	21	26	(	(	PUNCT
ajfsoa-116	21	27	natesh	natesh	NOUN
ajfsoa-116	21	28	et	et	PROPN
ajfsoa-116	21	29	al	al	PROPN
ajfsoa-116	21	30	.	.	PROPN
ajfsoa-116	21	31	,	,	PUNCT
ajfsoa-116	21	32	2003	2003	NUM
ajfsoa-116	21	33	)	)	PUNCT
ajfsoa-116	21	34	,	,	PUNCT
ajfsoa-116	21	35	describing	describe	VERB
ajfsoa-116	21	36	the	the	DET
ajfsoa-116	21	37	bound	bound	ADJ
ajfsoa-116	21	38	co	co	NOUN
ajfsoa-116	21	39	-	-	NOUN
ajfsoa-116	21	40	ordinates	ordinate	NOUN
ajfsoa-116	21	41	of	of	ADP
ajfsoa-116	21	42	testicular	testicular	ADJ
ajfsoa-116	21	43	ace	ace	NOUN
ajfsoa-116	21	44	and	and	CCONJ
ajfsoa-116	21	45	the	the	DET
ajfsoa-116	21	46	small	small	ADJ
ajfsoa-116	21	47	molecules	molecule	NOUN
ajfsoa-116	21	48	captopril	captopril	NOUN
ajfsoa-116	21	49	(	(	PUNCT
ajfsoa-116	21	50	resolution	resolution	NOUN
ajfsoa-116	21	51	2.00	2.00	NUM
ajfsoa-116	21	52	ǻ	ǻ	NOUN
ajfsoa-116	21	53	)	)	PUNCT
ajfsoa-116	21	54	,	,	PUNCT
ajfsoa-116	21	55	enalaprilat	enalaprilat	NOUN
ajfsoa-116	21	56	(	(	PUNCT
ajfsoa-116	21	57	resolution	resolution	NOUN
ajfsoa-116	21	58	1.82	1.82	NUM
ajfsoa-116	21	59	ǻ	ǻ	NOUN
ajfsoa-116	21	60	)	)	PUNCT
ajfsoa-116	21	61	and	and	CCONJ
ajfsoa-116	21	62	lisinopril	lisinopril	NOUN
ajfsoa-116	21	63	(	(	PUNCT
ajfsoa-116	21	64	resolution	resolution	NOUN
ajfsoa-116	21	65	2.00	2.00	NUM
ajfsoa-116	21	66	ǻ	ǻ	NOUN
ajfsoa-116	21	67	)	)	PUNCT
ajfsoa-116	21	68	.	.	PUNCT
ajfsoa-116	22	1	pdb	pdb	PROPN
ajfsoa-116	22	2	deposition	deposition	NOUN
ajfsoa-116	22	3	visualisation	visualisation	NOUN
ajfsoa-116	22	4	and	and	CCONJ
ajfsoa-116	22	5	modelling	model	VERB
ajfsoa-116	22	6	molecular	molecular	ADJ
ajfsoa-116	22	7	visualisation	visualisation	NOUN
ajfsoa-116	22	8	and	and	CCONJ
ajfsoa-116	22	9	modelling	modelling	NOUN
ajfsoa-116	22	10	were	be	AUX
ajfsoa-116	22	11	carried	carry	VERB
ajfsoa-116	22	12	out	out	ADP
ajfsoa-116	22	13	using	use	VERB
ajfsoa-116	22	14	sybyl	sybyl	NOUN
ajfsoa-116	22	15	®	®	NOUN
ajfsoa-116	22	16	(	(	PUNCT
ajfsoa-116	22	17	sybyl	sybyl	PROPN
ajfsoa-116	22	18	7.3	7.3	NUM
ajfsoa-116	22	19	,	,	PUNCT
ajfsoa-116	22	20	tripos	tripos	PROPN
ajfsoa-116	22	21	international	international	PROPN
ajfsoa-116	22	22	,	,	PUNCT
ajfsoa-116	22	23	1699	1699	NUM
ajfsoa-116	22	24	south	south	PROPN
ajfsoa-116	22	25	hanley	hanley	PROPN
ajfsoa-116	22	26	rd	rd	PROPN
ajfsoa-116	22	27	.	.	PROPN
ajfsoa-116	22	28	,	,	PUNCT
ajfsoa-116	22	29	st	st	PROPN
ajfsoa-116	22	30	.	.	PROPN
ajfsoa-116	22	31	louis	louis	PROPN
ajfsoa-116	22	32	,	,	PUNCT
ajfsoa-116	22	33	missouri	missouri	PROPN
ajfsoa-116	22	34	,	,	PUNCT
ajfsoa-116	22	35	63144	63144	NUM
ajfsoa-116	22	36	,	,	PUNCT
ajfsoa-116	22	37	usa	usa	PROPN
ajfsoa-116	22	38	.	.	PROPN
ajfsoa-116	22	39	)	)	PUNCT
ajfsoa-116	23	1	(	(	PUNCT
ajfsoa-116	23	2	sybyl	sybyl	NOUN
ajfsoa-116	23	3	7.3	7.3	NUM
ajfsoa-116	23	4	,	,	PUNCT
ajfsoa-116	23	5	tripos	tripos	PROPN
ajfsoa-116	23	6	international	international	PROPN
ajfsoa-116	23	7	,	,	PUNCT
ajfsoa-116	23	8	cartera	cartera	NOUN
ajfsoa-116	23	9	™	™	PROPN
ajfsoa-116	23	10	)	)	PUNCT
ajfsoa-116	23	11	.	.	PUNCT
ajfsoa-116	24	1	the	the	DET
ajfsoa-116	24	2	selected	select	VERB
ajfsoa-116	24	3	pdb	pdb	NOUN
ajfsoa-116	24	4	depositions	deposition	NOUN
ajfsoa-116	24	5	were	be	AUX
ajfsoa-116	24	6	treated	treat	VERB
ajfsoa-116	24	7	identically	identically	ADV
ajfsoa-116	24	8	during	during	ADP
ajfsoa-116	24	9	this	this	DET
ajfsoa-116	24	10	phase	phase	NOUN
ajfsoa-116	24	11	of	of	ADP
ajfsoa-116	24	12	the	the	DET
ajfsoa-116	24	13	study	study	NOUN
ajfsoa-116	24	14	.	.	PUNCT
ajfsoa-116	25	1	specifically	specifically	ADV
ajfsoa-116	25	2	,	,	PUNCT
ajfsoa-116	25	3	each	each	DET
ajfsoa-116	25	4	crystallographic	crystallographic	ADJ
ajfsoa-116	25	5	deposition	deposition	NOUN
ajfsoa-116	25	6	1uzf	1uzf	NUM
ajfsoa-116	25	7	,	,	PUNCT
ajfsoa-116	25	8	1uze	1uze	NUM
ajfsoa-116	25	9	and	and	CCONJ
ajfsoa-116	25	10	1o86	1o86	NOUN
ajfsoa-116	25	11	was	be	AUX
ajfsoa-116	25	12	read	read	VERB
ajfsoa-116	25	13	into	into	ADP
ajfsoa-116	25	14	sybyl	sybyl	NOUN
ajfsoa-116	25	15	®	®	NOUN
ajfsoa-116	25	16	(	(	PUNCT
ajfsoa-116	25	17	sybyl	sybyl	PROPN
ajfsoa-116	25	18	7.3	7.3	NUM
ajfsoa-116	25	19	,	,	PUNCT
ajfsoa-116	25	20	tripos	tripos	PROPN
ajfsoa-116	25	21	international	international	PROPN
ajfsoa-116	25	22	,	,	PUNCT
ajfsoa-116	25	23	cartera	cartera	NOUN
ajfsoa-116	25	24	™	™	NOUN
ajfsoa-116	25	25	)	)	PUNCT
ajfsoa-116	25	26	with	with	ADP
ajfsoa-116	25	27	precautions	precaution	NOUN
ajfsoa-116	25	28	being	be	AUX
ajfsoa-116	25	29	taken	take	VERB
ajfsoa-116	25	30	to	to	PART
ajfsoa-116	25	31	preserve	preserve	VERB
ajfsoa-116	25	32	the	the	DET
ajfsoa-116	25	33	bound	bound	ADJ
ajfsoa-116	25	34	co	co	NOUN
ajfsoa-116	25	35	-	-	NOUN
ajfsoa-116	25	36	ordinates	ordinate	NOUN
ajfsoa-116	25	37	and	and	CCONJ
ajfsoa-116	25	38	consequently	consequently	ADV
ajfsoa-116	25	39	the	the	DET
ajfsoa-116	25	40	bioactive	bioactive	ADJ
ajfsoa-116	25	41	conformation	conformation	NOUN
ajfsoa-116	25	42	of	of	ADP
ajfsoa-116	25	43	each	each	PRON
ajfsoa-116	25	44	.	.	PUNCT
ajfsoa-116	26	1	all	all	DET
ajfsoa-116	26	2	moeities	moeitie	NOUN
ajfsoa-116	26	3	considered	consider	VERB
ajfsoa-116	26	4	as	as	ADP
ajfsoa-116	26	5	superfluous	superfluous	ADJ
ajfsoa-116	26	6	to	to	ADP
ajfsoa-116	26	7	binding	bind	VERB
ajfsoa-116	26	8	were	be	AUX
ajfsoa-116	26	9	edited	edit	VERB
ajfsoa-116	26	10	.	.	PUNCT
ajfsoa-116	27	1	this	this	PRON
ajfsoa-116	27	2	means	mean	VERB
ajfsoa-116	27	3	that	that	SCONJ
ajfsoa-116	27	4	in	in	ADP
ajfsoa-116	27	5	the	the	DET
ajfsoa-116	27	6	case	case	NOUN
ajfsoa-116	27	7	of	of	ADP
ajfsoa-116	27	8	1uzf	1uzf	NUM
ajfsoa-116	27	9	,	,	PUNCT
ajfsoa-116	27	10	two	two	NUM
ajfsoa-116	27	11	chlorine	chlorine	NOUN
ajfsoa-116	27	12	atoms	atom	NOUN
ajfsoa-116	27	13	,	,	PUNCT
ajfsoa-116	27	14	2	2	NUM
ajfsoa-116	27	15	n	n	CCONJ
ajfsoa-116	27	16	-	-	PUNCT
ajfsoa-116	27	17	acetylglucosamine	acetylglucosamine	NOUN
ajfsoa-116	27	18	molecules	molecule	NOUN
ajfsoa-116	27	19	and	and	CCONJ
ajfsoa-116	27	20	all	all	DET
ajfsoa-116	27	21	water	water	NOUN
ajfsoa-116	27	22	molecules	molecule	NOUN
ajfsoa-116	27	23	lying	lie	VERB
ajfsoa-116	27	24	at	at	ADP
ajfsoa-116	27	25	a	a	DET
ajfsoa-116	27	26	distance	distance	NOUN
ajfsoa-116	27	27	≤	≤	NUM
ajfsoa-116	27	28	5	5	NUM
ajfsoa-116	27	29	å	å	NOUN
ajfsoa-116	27	30	were	be	AUX
ajfsoa-116	27	31	removed	remove	VERB
ajfsoa-116	27	32	.	.	PUNCT
ajfsoa-116	28	1	in	in	ADP
ajfsoa-116	28	2	the	the	DET
ajfsoa-116	28	3	cases	case	NOUN
ajfsoa-116	28	4	of	of	ADP
ajfsoa-116	28	5	1uze	1uze	NUM
ajfsoa-116	28	6	and	and	CCONJ
ajfsoa-116	28	7	1o86	1o86	NUM
ajfsoa-116	28	8	,	,	PUNCT
ajfsoa-116	28	9	two	two	NUM
ajfsoa-116	28	10	chlorine	chlorine	NOUN
ajfsoa-116	28	11	atoms	atom	NOUN
ajfsoa-116	28	12	and	and	CCONJ
ajfsoa-116	28	13	two	two	NUM
ajfsoa-116	28	14	glycine	glycine	NOUN
ajfsoa-116	28	15	molecules	molecule	NOUN
ajfsoa-116	28	16	were	be	AUX
ajfsoa-116	28	17	removed	remove	VERB
ajfsoa-116	28	18	.	.	PUNCT
ajfsoa-116	29	1	the	the	DET
ajfsoa-116	29	2	result	result	NOUN
ajfsoa-116	29	3	of	of	ADP
ajfsoa-116	29	4	this	this	DET
ajfsoa-116	29	5	editing	editing	NOUN
ajfsoa-116	29	6	process	process	NOUN
ajfsoa-116	29	7	consequently	consequently	ADV
ajfsoa-116	29	8	was	be	AUX
ajfsoa-116	29	9	holo	holo	NOUN
ajfsoa-116	29	10	-	-	PUNCT
ajfsoa-116	29	11	ace	ace	NOUN
ajfsoa-116	29	12	bound	bind	VERB
ajfsoa-116	29	13	to	to	ADP
ajfsoa-116	29	14	captopril	captopril	NOUN
ajfsoa-116	29	15	,	,	PUNCT
ajfsoa-116	29	16	enalaprilat	enalaprilat	NOUN
ajfsoa-116	29	17	and	and	CCONJ
ajfsoa-116	29	18	lisinopril	lisinopril	PROPN
ajfsoa-116	29	19	,	,	PUNCT
ajfsoa-116	29	20	respectively	respectively	ADV
ajfsoa-116	29	21	with	with	ADP
ajfsoa-116	29	22	water	water	NOUN
ajfsoa-116	29	23	molecules	molecule	NOUN
ajfsoa-116	29	24	at	at	ADP
ajfsoa-116	29	25	a	a	DET
ajfsoa-116	29	26	radius	radius	NOUN
ajfsoa-116	29	27	≤	≤	ADV
ajfsoa-116	29	28	5	5	NUM
ajfsoa-116	29	29	å	å	NOUN
ajfsoa-116	29	30	being	be	AUX
ajfsoa-116	29	31	retained	retain	VERB
ajfsoa-116	29	32	.	.	PUNCT
ajfsoa-116	30	1	retention	retention	NOUN
ajfsoa-116	30	2	of	of	ADP
ajfsoa-116	30	3	these	these	DET
ajfsoa-116	30	4	water	water	NOUN
ajfsoa-116	30	5	molecules	molecule	NOUN
ajfsoa-116	30	6	was	be	AUX
ajfsoa-116	30	7	carried	carry	VERB
ajfsoa-116	30	8	out	out	ADP
ajfsoa-116	30	9	on	on	ADP
ajfsoa-116	30	10	the	the	DET
ajfsoa-116	30	11	premise	premise	NOUN
ajfsoa-116	30	12	that	that	SCONJ
ajfsoa-116	30	13	crystallographic	crystallographic	ADJ
ajfsoa-116	30	14	data	datum	NOUN
ajfsoa-116	30	15	was	be	AUX
ajfsoa-116	30	16	suggestive	suggestive	ADJ
ajfsoa-116	30	17	of	of	ADP
ajfsoa-116	30	18	the	the	DET
ajfsoa-116	30	19	fact	fact	NOUN
ajfsoa-116	30	20	that	that	SCONJ
ajfsoa-116	30	21	their	their	PRON
ajfsoa-116	30	22	proximity	proximity	NOUN
ajfsoa-116	30	23	to	to	ADP
ajfsoa-116	30	24	the	the	DET
ajfsoa-116	30	25	bound	bind	VERB
ajfsoa-116	30	26	small	small	ADJ
ajfsoa-116	30	27	molecules	molecule	NOUN
ajfsoa-116	30	28	and	and	CCONJ
ajfsoa-116	30	29	the	the	DET
ajfsoa-116	30	30	ligand	ligand	ADJ
ajfsoa-116	30	31	binding	bind	VERB
ajfsoa-116	30	32	pocket	pocket	NOUN
ajfsoa-116	30	33	(	(	PUNCT
ajfsoa-116	30	34	lbp	lbp	NOUN
ajfsoa-116	30	35	)	)	PUNCT
ajfsoa-116	30	36	could	could	AUX
ajfsoa-116	30	37	give	give	VERB
ajfsoa-116	30	38	rise	rise	NOUN
ajfsoa-116	30	39	to	to	ADP
ajfsoa-116	30	40	a	a	DET
ajfsoa-116	30	41	situation	situation	NOUN
ajfsoa-116	30	42	in	in	ADP
ajfsoa-116	30	43	which	which	PRON
ajfsoa-116	30	44	bound	bind	VERB
ajfsoa-116	30	45	ligands	ligand	NOUN
ajfsoa-116	30	46	could	could	AUX
ajfsoa-116	30	47	be	be	AUX
ajfsoa-116	30	48	stabilised	stabilise	VERB
ajfsoa-116	30	49	within	within	ADP
ajfsoa-116	30	50	the	the	DET
ajfsoa-116	30	51	lbp	lbp	NOUN
ajfsoa-116	30	52	through	through	ADP
ajfsoa-116	30	53	the	the	DET
ajfsoa-116	30	54	formation	formation	NOUN
ajfsoa-116	30	55	of	of	ADP
ajfsoa-116	30	56	water	water	NOUN
ajfsoa-116	30	57	bridges	bridge	NOUN
ajfsoa-116	30	58	.	.	PUNCT
ajfsoa-116	31	1	this	this	DET
ajfsoa-116	31	2	editing	editing	NOUN
ajfsoa-116	31	3	process	process	NOUN
ajfsoa-116	31	4	was	be	AUX
ajfsoa-116	31	5	performed	perform	VERB
ajfsoa-116	31	6	in	in	ADP
ajfsoa-116	31	7	preparation	preparation	NOUN
ajfsoa-116	31	8	for	for	ADP
ajfsoa-116	31	9	molecular	molecular	ADJ
ajfsoa-116	31	10	dynamics	dynamic	NOUN
ajfsoa-116	31	11	studies	study	NOUN
ajfsoa-116	31	12	which	which	PRON
ajfsoa-116	31	13	will	will	AUX
ajfsoa-116	31	14	be	be	AUX
ajfsoa-116	31	15	carried	carry	VERB
ajfsoa-116	31	16	out	out	ADP
ajfsoa-116	31	17	during	during	ADP
ajfsoa-116	31	18	subsequent	subsequent	ADJ
ajfsoa-116	31	19	stages	stage	NOUN
ajfsoa-116	31	20	of	of	ADP
ajfsoa-116	31	21	this	this	DET
ajfsoa-116	31	22	study	study	NOUN
ajfsoa-116	31	23	.	.	PUNCT
ajfsoa-116	32	1	the	the	DET
ajfsoa-116	32	2	small	small	ADJ
ajfsoa-116	32	3	molecules	molecule	NOUN
ajfsoa-116	32	4	captopril	captopril	NOUN
ajfsoa-116	32	5	,	,	PUNCT
ajfsoa-116	32	6	enalaprilat	enalaprilat	NOUN
ajfsoa-116	32	7	and	and	CCONJ
ajfsoa-116	32	8	lisinopril	lisinopril	NOUN
ajfsoa-116	32	9	were	be	AUX
ajfsoa-116	32	10	subsequently	subsequently	ADV
ajfsoa-116	32	11	extracted	extract	VERB
ajfsoa-116	32	12	,	,	PUNCT
ajfsoa-116	32	13	using	use	VERB
ajfsoa-116	32	14	sybyl	sybyl	NOUN
ajfsoa-116	32	15	®	®	NOUN
ajfsoa-116	32	16	(	(	PUNCT
ajfsoa-116	32	17	sybyl	sybyl	PROPN
ajfsoa-116	32	18	7.3	7.3	NUM
ajfsoa-116	32	19	,	,	PUNCT
ajfsoa-116	32	20	tripos	tripos	PROPN
ajfsoa-116	32	21	international	international	PROPN
ajfsoa-116	32	22	,	,	PUNCT
ajfsoa-116	32	23	cartera	cartera	NOUN
ajfsoa-116	32	24	™	™	PROPN
ajfsoa-116	32	25	)	)	PUNCT
ajfsoa-116	32	26	,	,	PUNCT
ajfsoa-116	32	27	from	from	ADP
ajfsoa-116	32	28	their	their	PRON
ajfsoa-116	32	29	respective	respective	ADJ
ajfsoa-116	32	30	ace	ace	NOUN
ajfsoa-116	32	31	ligand	ligand	ADJ
ajfsoa-116	32	32	binding	bind	VERB
ajfsoa-116	32	33	pockets	pocket	NOUN
ajfsoa-116	32	34	(	(	PUNCT
ajfsoa-116	32	35	ace	ace	NOUN
ajfsoa-116	32	36	-	-	PUNCT
ajfsoa-116	32	37	lbp	lbp	NOUN
ajfsoa-116	32	38	)	)	PUNCT
ajfsoa-116	32	39	.	.	PUNCT
ajfsoa-116	33	1	each	each	DET
ajfsoa-116	33	2	small	small	ADJ
ajfsoa-116	33	3	molecule	molecule	NOUN
ajfsoa-116	33	4	was	be	AUX
ajfsoa-116	33	5	saved	save	VERB
ajfsoa-116	33	6	in	in	ADP
ajfsoa-116	33	7	pdb	pdb	PROPN
ajfsoa-116	33	8	and	and	CCONJ
ajfsoa-116	33	9	mol2	mol2	PROPN
ajfsoa-116	33	10	formats	format	NOUN
ajfsoa-116	33	11	while	while	SCONJ
ajfsoa-116	33	12	the	the	DET
ajfsoa-116	33	13	apo	apo	NOUN
ajfsoa-116	33	14	-	-	PUNCT
ajfsoa-116	33	15	ace	ace	NOUN
ajfsoa-116	33	16	with	with	ADP
ajfsoa-116	33	17	the	the	DET
ajfsoa-116	33	18	retained	retain	VERB
ajfsoa-116	33	19	water	water	NOUN
ajfsoa-116	33	20	molecules	molecule	NOUN
ajfsoa-116	33	21	(	(	PUNCT
ajfsoa-116	33	22	n	n	NOUN
ajfsoa-116	33	23	=	=	SYM
ajfsoa-116	33	24	143	143	NUM
ajfsoa-116	33	25	,	,	PUNCT
ajfsoa-116	33	26	455	455	NUM
ajfsoa-116	33	27	and	and	CCONJ
ajfsoa-116	33	28	569	569	NUM
ajfsoa-116	33	29	,	,	PUNCT
ajfsoa-116	33	30	respectively	respectively	ADV
ajfsoa-116	33	31	)	)	PUNCT
ajfsoa-116	33	32	were	be	AUX
ajfsoa-116	33	33	saved	save	VERB
ajfsoa-116	33	34	in	in	ADP
ajfsoa-116	33	35	pdb	pdb	PROPN
ajfsoa-116	33	36	format	format	NOUN
ajfsoa-116	33	37	.	.	PUNCT
ajfsoa-116	34	1	the	the	DET
ajfsoa-116	34	2	choice	choice	NOUN
ajfsoa-116	34	3	of	of	ADP
ajfsoa-116	34	4	file	file	NOUN
ajfsoa-116	34	5	format	format	NOUN
ajfsoa-116	34	6	in	in	ADP
ajfsoa-116	34	7	which	which	PRON
ajfsoa-116	34	8	to	to	PART
ajfsoa-116	34	9	save	save	VERB
ajfsoa-116	34	10	each	each	DET
ajfsoa-116	34	11	moeity	moeity	NOUN
ajfsoa-116	34	12	was	be	AUX
ajfsoa-116	34	13	a	a	DET
ajfsoa-116	34	14	function	function	NOUN
ajfsoa-116	34	15	of	of	ADP
ajfsoa-116	34	16	software	software	NOUN
ajfsoa-116	34	17	requirements	requirement	NOUN
ajfsoa-116	34	18	of	of	ADP
ajfsoa-116	34	19	subsequent	subsequent	ADJ
ajfsoa-116	34	20	phases	phase	NOUN
ajfsoa-116	34	21	of	of	ADP
ajfsoa-116	34	22	the	the	DET
ajfsoa-116	34	23	study	study	NOUN
ajfsoa-116	34	24	.	.	PUNCT
ajfsoa-116	35	1	specifically	specifically	ADV
ajfsoa-116	35	2	,	,	PUNCT
ajfsoa-116	35	3	ligand	ligand	ADJ
ajfsoa-116	35	4	binding	bind	VERB
ajfsoa-116	35	5	affinity	affinity	NOUN
ajfsoa-116	35	6	(	(	PUNCT
ajfsoa-116	35	7	lba	lba	PROPN
ajfsoa-116	35	8	)	)	PUNCT
ajfsoa-116	35	9	and	and	CCONJ
ajfsoa-116	35	10	de	de	X
ajfsoa-116	35	11	novo	novo	NOUN
ajfsoa-116	35	12	design	design	NOUN
ajfsoa-116	35	13	were	be	AUX
ajfsoa-116	35	14	carried	carry	VERB
ajfsoa-116	35	15	out	out	ADP
ajfsoa-116	35	16	using	use	VERB
ajfsoa-116	35	17	the	the	DET
ajfsoa-116	35	18	algorithms	algorithm	NOUN
ajfsoa-116	35	19	of	of	ADP
ajfsoa-116	35	20	wang	wang	PROPN
ajfsoa-116	35	21	and	and	CCONJ
ajfsoa-116	35	22	co	co	NOUN
ajfsoa-116	35	23	-	-	NOUN
ajfsoa-116	35	24	workers	worker	NOUN
ajfsoa-116	35	25	in	in	ADP
ajfsoa-116	35	26	score	score	NOUN
ajfsoa-116	35	27	®	®	NOUN
ajfsoa-116	35	28	(	(	PUNCT
ajfsoa-116	35	29	wang	wang	PROPN
ajfsoa-116	35	30	et	et	PROPN
ajfsoa-116	35	31	al	al	PROPN
ajfsoa-116	35	32	.	.	PROPN
ajfsoa-116	35	33	,	,	PUNCT
ajfsoa-116	35	34	1998	1998	NUM
ajfsoa-116	35	35	)	)	PUNCT
ajfsoa-116	35	36	and	and	CCONJ
ajfsoa-116	35	37	ligbuilder	ligbuilder	NOUN
ajfsoa-116	35	38	®	®	PROPN
ajfsoa-116	35	39	(	(	PUNCT
ajfsoa-116	35	40	wang	wang	PROPN
ajfsoa-116	35	41	et	et	PROPN
ajfsoa-116	35	42	al	al	PROPN
ajfsoa-116	35	43	.	.	PROPN
ajfsoa-116	35	44	,	,	PUNCT
ajfsoa-116	35	45	2000	2000	NUM
ajfsoa-116	35	46	)	)	PUNCT
ajfsoa-116	35	47	,	,	PUNCT
ajfsoa-116	35	48	respectively	respectively	ADV
ajfsoa-116	35	49	.	.	PUNCT
ajfsoa-116	36	1	these	these	PRON
ajfsoa-116	36	2	require	require	VERB
ajfsoa-116	36	3	that	that	SCONJ
ajfsoa-116	36	4	small	small	ADJ
ajfsoa-116	36	5	molecules	molecule	NOUN
ajfsoa-116	36	6	be	be	AUX
ajfsoa-116	36	7	saved	save	VERB
ajfsoa-116	36	8	in	in	ADP
ajfsoa-116	36	9	mol2	mol2	PROPN
ajfsoa-116	36	10	format	format	NOUN
ajfsoa-116	36	11	and	and	CCONJ
ajfsoa-116	36	12	that	that	SCONJ
ajfsoa-116	36	13	the	the	DET
ajfsoa-116	36	14	protein	protein	NOUN
ajfsoa-116	36	15	receptor	receptor	NOUN
ajfsoa-116	36	16	be	be	AUX
ajfsoa-116	36	17	saved	save	VERB
ajfsoa-116	36	18	in	in	ADP
ajfsoa-116	36	19	pdb	pdb	PROPN
ajfsoa-116	36	20	format	format	NOUN
ajfsoa-116	36	21	.	.	PUNCT
ajfsoa-116	37	1	vmd	vmd	PROPN
ajfsoa-116	37	2	®	®	PROPN
ajfsoa-116	37	3	(	(	PUNCT
ajfsoa-116	37	4	humphrey	humphrey	PROPN
ajfsoa-116	37	5	et	et	PROPN
ajfsoa-116	37	6	al	al	PROPN
ajfsoa-116	37	7	.	.	PROPN
ajfsoa-116	37	8	,	,	PUNCT
ajfsoa-116	37	9	1996	1996	NUM
ajfsoa-116	37	10	)	)	PUNCT
ajfsoa-116	37	11	was	be	AUX
ajfsoa-116	37	12	used	use	VERB
ajfsoa-116	37	13	for	for	ADP
ajfsoa-116	37	14	image	image	NOUN
ajfsoa-116	37	15	generation	generation	NOUN
ajfsoa-116	37	16	and	and	CCONJ
ajfsoa-116	37	17	this	this	PRON
ajfsoa-116	37	18	required	require	VERB
ajfsoa-116	37	19	that	that	SCONJ
ajfsoa-116	37	20	all	all	DET
ajfsoa-116	37	21	molecules	molecule	NOUN
ajfsoa-116	37	22	be	be	AUX
ajfsoa-116	37	23	read	read	VERB
ajfsoa-116	37	24	in	in	ADP
ajfsoa-116	37	25	pdb	pdb	PROPN
ajfsoa-116	37	26	format	format	NOUN
ajfsoa-116	37	27	.	.	PUNCT
ajfsoa-116	38	1	analysis	analysis	NOUN
ajfsoa-116	38	2	of	of	ADP
ajfsoa-116	38	3	the	the	DET
ajfsoa-116	38	4	ligand	ligand	ADJ
ajfsoa-116	38	5	binding	bind	VERB
ajfsoa-116	38	6	pocket	pocket	NOUN
ajfsoa-116	38	7	the	the	DET
ajfsoa-116	38	8	extracted	extract	VERB
ajfsoa-116	38	9	bioactive	bioactive	ADJ
ajfsoa-116	38	10	conformations	conformation	NOUN
ajfsoa-116	38	11	of	of	ADP
ajfsoa-116	38	12	the	the	DET
ajfsoa-116	38	13	small	small	ADJ
ajfsoa-116	38	14	molecules	molecule	NOUN
ajfsoa-116	38	15	captopril	captopril	NOUN
ajfsoa-116	38	16	,	,	PUNCT
ajfsoa-116	38	17	enalaprilat	enalaprilat	NOUN
ajfsoa-116	38	18	and	and	CCONJ
ajfsoa-116	38	19	lisinopril	lisinopril	NOUN
ajfsoa-116	38	20	were	be	AUX
ajfsoa-116	38	21	used	use	VERB
ajfsoa-116	38	22	as	as	ADP
ajfsoa-116	38	23	probes	probe	NOUN
ajfsoa-116	38	24	in	in	ADP
ajfsoa-116	38	25	order	order	NOUN
ajfsoa-116	38	26	to	to	PART
ajfsoa-116	38	27	generate	generate	VERB
ajfsoa-116	38	28	ace	ace	NOUN
ajfsoa-116	38	29	-	-	PUNCT
ajfsoa-116	38	30	lbp	lbp	NOUN
ajfsoa-116	38	31	maps	map	NOUN
ajfsoa-116	38	32	of	of	ADP
ajfsoa-116	38	33	each	each	DET
ajfsoa-116	38	34	bound	bind	VERB
ajfsoa-116	38	35	conformation	conformation	NOUN
ajfsoa-116	38	36	of	of	ADP
ajfsoa-116	38	37	the	the	DET
ajfsoa-116	38	38	ace	ace	NOUN
ajfsoa-116	38	39	.	.	PUNCT
ajfsoa-116	39	1	this	this	PRON
ajfsoa-116	39	2	was	be	AUX
ajfsoa-116	39	3	done	do	VERB
ajfsoa-116	39	4	using	use	VERB
ajfsoa-116	39	5	the	the	DET
ajfsoa-116	39	6	pocket	pocket	NOUN
ajfsoa-116	39	7	module	module	NOUN
ajfsoa-116	39	8	of	of	ADP
ajfsoa-116	39	9	ligbuilder	ligbuilder	NOUN
ajfsoa-116	39	10	®	®	PROPN
ajfsoa-116	39	11	(	(	PUNCT
ajfsoa-116	39	12	wang	wang	PROPN
ajfsoa-116	39	13	et	et	PROPN
ajfsoa-116	39	14	al	al	PROPN
ajfsoa-116	39	15	.	.	PROPN
ajfsoa-116	39	16	,	,	PUNCT
ajfsoa-116	39	17	2000	2000	NUM
ajfsoa-116	39	18	)	)	PUNCT
ajfsoa-116	39	19	which	which	PRON
ajfsoa-116	39	20	exploited	exploit	VERB
ajfsoa-116	39	21	the	the	DET
ajfsoa-116	39	22	contacts	contact	NOUN
ajfsoa-116	39	23	forged	forge	VERB
ajfsoa-116	39	24	between	between	ADP
ajfsoa-116	39	25	the	the	DET
ajfsoa-116	39	26	small	small	ADJ
ajfsoa-116	39	27	molecule	molecule	NOUN
ajfsoa-116	39	28	and	and	CCONJ
ajfsoa-116	39	29	the	the	DET
ajfsoa-116	39	30	ace	ace	NOUN
ajfsoa-116	39	31	-	-	PUNCT
ajfsoa-116	39	32	lbp	lbp	NOUN
ajfsoa-116	39	33	in	in	ADP
ajfsoa-116	39	34	each	each	DET
ajfsoa-116	39	35	case	case	NOUN
ajfsoa-116	39	36	to	to	PART
ajfsoa-116	39	37	generate	generate	VERB
ajfsoa-116	39	38	a	a	DET
ajfsoa-116	39	39	3d	3d	NUM
ajfsoa-116	39	40	bond	bond	NOUN
ajfsoa-116	39	41	type	type	NOUN
ajfsoa-116	39	42	specific	specific	ADJ
ajfsoa-116	39	43	map	map	NOUN
ajfsoa-116	39	44	of	of	ADP
ajfsoa-116	39	45	the	the	DET
ajfsoa-116	39	46	ace	ace	NOUN
ajfsoa-116	39	47	-	-	PUNCT
ajfsoa-116	39	48	lbp	lbp	PROPN
ajfsoa-116	39	49	as	as	SCONJ
ajfsoa-116	39	50	described	describe	VERB
ajfsoa-116	39	51	in	in	ADP
ajfsoa-116	39	52	each	each	DET
ajfsoa-116	39	53	deposition	deposition	NOUN
ajfsoa-116	39	54	being	be	AUX
ajfsoa-116	39	55	studied	study	VERB
ajfsoa-116	39	56	.	.	PUNCT
ajfsoa-116	40	1	this	this	DET
ajfsoa-116	40	2	process	process	NOUN
ajfsoa-116	40	3	also	also	ADV
ajfsoa-116	40	4	generated	generate	VERB
ajfsoa-116	40	5	proposed	propose	VERB
ajfsoa-116	40	6	pharmacophores	pharmacophore	NOUN
ajfsoa-116	40	7	for	for	ADP
ajfsoa-116	40	8	each	each	DET
ajfsoa-116	40	9	deposition	deposition	NOUN
ajfsoa-116	40	10	.	.	PUNCT
ajfsoa-116	41	1	elucidation	elucidation	NOUN
ajfsoa-116	41	2	of	of	ADP
ajfsoa-116	41	3	ligand	ligand	ADJ
ajfsoa-116	41	4	specific	specific	ADJ
ajfsoa-116	41	5	lbp	lbp	NOUN
ajfsoa-116	41	6	maps	map	NOUN
ajfsoa-116	41	7	and	and	CCONJ
ajfsoa-116	41	8	pharmacophores	pharmacophore	NOUN
ajfsoa-116	41	9	was	be	AUX
ajfsoa-116	41	10	carried	carry	VERB
ajfsoa-116	41	11	out	out	ADP
ajfsoa-116	41	12	based	base	VERB
ajfsoa-116	41	13	on	on	ADP
ajfsoa-116	41	14	the	the	DET
ajfsoa-116	41	15	fact	fact	NOUN
ajfsoa-116	41	16	that	that	SCONJ
ajfsoa-116	41	17	it	it	PRON
ajfsoa-116	41	18	is	be	AUX
ajfsoa-116	41	19	known	know	VERB
ajfsoa-116	41	20	that	that	SCONJ
ajfsoa-116	41	21	receptor	receptor	NOUN
ajfsoa-116	41	22	tertiary	tertiary	ADJ
ajfsoa-116	41	23	structure	structure	NOUN
ajfsoa-116	41	24	and	and	CCONJ
ajfsoa-116	41	25	lbp	lbp	PROPN
ajfsoa-116	41	26	conformation	conformation	NOUN
ajfsoa-116	41	27	is	be	AUX
ajfsoa-116	41	28	specific	specific	ADJ
ajfsoa-116	41	29	ligand	ligand	NOUN
ajfsoa-116	41	30	driven	drive	VERB
ajfsoa-116	41	31	.	.	PUNCT
ajfsoa-116	42	1	this	this	DET
ajfsoa-116	42	2	process	process	NOUN
ajfsoa-116	42	3	consequently	consequently	ADV
ajfsoa-116	42	4	served	serve	VERB
ajfsoa-116	42	5	to	to	PART
ajfsoa-116	42	6	highlight	highlight	VERB
ajfsoa-116	42	7	the	the	DET
ajfsoa-116	42	8	conformational	conformational	ADJ
ajfsoa-116	42	9	differences	difference	NOUN
ajfsoa-116	42	10	that	that	SCONJ
ajfsoa-116	42	11	the	the	DET
ajfsoa-116	42	12	3	3	NUM
ajfsoa-116	42	13	ligand	ligand	NOUN
ajfsoa-116	42	14	probes	probe	NOUN
ajfsoa-116	42	15	induced	induce	VERB
ajfsoa-116	42	16	within	within	ADP
ajfsoa-116	42	17	the	the	DET
ajfsoa-116	42	18	ace	ace	NOUN
ajfsoa-116	42	19	-	-	PUNCT
ajfsoa-116	42	20	lbp	lbp	NOUN
ajfsoa-116	42	21	.	.	PUNCT
ajfsoa-116	43	1	at	at	ADP
ajfsoa-116	43	2	the	the	DET
ajfsoa-116	43	3	end	end	NOUN
ajfsoa-116	43	4	of	of	ADP
ajfsoa-116	43	5	this	this	DET
ajfsoa-116	43	6	process	process	NOUN
ajfsoa-116	43	7	,	,	PUNCT
ajfsoa-116	43	8	consequently	consequently	ADV
ajfsoa-116	43	9	,	,	PUNCT
ajfsoa-116	43	10	2	2	NUM
ajfsoa-116	43	11	output	output	NOUN
ajfsoa-116	43	12	files	file	NOUN
ajfsoa-116	43	13	were	be	AUX
ajfsoa-116	43	14	generated	generate	VERB
ajfsoa-116	43	15	for	for	ADP
ajfsoa-116	43	16	each	each	DET
ajfsoa-116	43	17	deposition	deposition	NOUN
ajfsoa-116	43	18	.	.	PUNCT
ajfsoa-116	44	1	these	these	PRON
ajfsoa-116	44	2	were	be	AUX
ajfsoa-116	44	3	:	:	PUNCT
ajfsoa-116	44	4	1	1	X
ajfsoa-116	44	5	.	.	X
ajfsoa-116	45	1	the	the	DET
ajfsoa-116	45	2	key_site_file	key_site_file	NOUN
ajfsoa-116	45	3	depicting	depict	VERB
ajfsoa-116	45	4	the	the	DET
ajfsoa-116	45	5	key	key	ADJ
ajfsoa-116	45	6	interaction	interaction	NOUN
ajfsoa-116	45	7	sites	site	NOUN
ajfsoa-116	45	8	between	between	ADP
ajfsoa-116	45	9	the	the	DET
ajfsoa-116	45	10	amino	amino	NOUN
ajfsoa-116	45	11	acid	acid	NOUN
ajfsoa-116	45	12	side	side	NOUN
ajfsoa-116	45	13	chains	chain	NOUN
ajfsoa-116	45	14	lining	line	VERB
ajfsoa-116	45	15	the	the	DET
ajfsoa-116	45	16	ace	ace	NOUN
ajfsoa-116	45	17	-	-	PUNCT
ajfsoa-116	45	18	lbp	lbp	NOUN
ajfsoa-116	45	19	and	and	CCONJ
ajfsoa-116	45	20	the	the	DET
ajfsoa-116	45	21	resident	resident	ADJ
ajfsoa-116	45	22	small	small	ADJ
ajfsoa-116	45	23	molecule	molecule	NOUN
ajfsoa-116	45	24	.	.	PUNCT
ajfsoa-116	46	1	by	by	ADP
ajfsoa-116	46	2	convention	convention	NOUN
ajfsoa-116	46	3	,	,	PUNCT
ajfsoa-116	46	4	hydrogen	hydrogen	NOUN
ajfsoa-116	46	5	bond	bond	NOUN
ajfsoa-116	46	6	donor	donor	NOUN
ajfsoa-116	46	7	sites	site	NOUN
ajfsoa-116	46	8	were	be	AUX
ajfsoa-116	46	9	represented	represent	VERB
ajfsoa-116	46	10	in	in	ADP
ajfsoa-116	46	11	blue	blue	ADJ
ajfsoa-116	46	12	,	,	PUNCT
ajfsoa-116	46	13	hydrogen	hydrogen	NOUN
ajfsoa-116	46	14	acceptor	acceptor	NOUN
ajfsoa-116	46	15	sites	site	NOUN
ajfsoa-116	46	16	were	be	AUX
ajfsoa-116	46	17	represented	represent	VERB
ajfsoa-116	46	18	in	in	ADP
ajfsoa-116	46	19	red	red	ADJ
ajfsoa-116	46	20	,	,	PUNCT
ajfsoa-116	46	21	while	while	SCONJ
ajfsoa-116	46	22	hydrophobic	hydrophobic	NOUN
ajfsoa-116	46	23	sites	site	NOUN
ajfsoa-116	46	24	were	be	AUX
ajfsoa-116	46	25	represented	represent	VERB
ajfsoa-116	46	26	in	in	ADP
ajfsoa-116	46	27	cyan	cyan	PROPN
ajfsoa-116	46	28	.	.	PUNCT
ajfsoa-116	47	1	2	2	X
ajfsoa-116	47	2	.	.	X
ajfsoa-116	47	3	the	the	DET
ajfsoa-116	47	4	pharmacophore_file	pharmacophore_file	NOUN
ajfsoa-116	47	5	depicting	depict	VERB
ajfsoa-116	47	6	the	the	DET
ajfsoa-116	47	7	proposed	propose	VERB
ajfsoa-116	47	8	pharmacophoric	pharmacophoric	ADJ
ajfsoa-116	47	9	model	model	NOUN
ajfsoa-116	47	10	.	.	PUNCT
ajfsoa-116	48	1	colour	colour	NOUN
ajfsoa-116	48	2	conventions	convention	NOUN
ajfsoa-116	48	3	were	be	AUX
ajfsoa-116	48	4	assigned	assign	VERB
ajfsoa-116	48	5	in	in	ADP
ajfsoa-116	48	6	the	the	DET
ajfsoa-116	48	7	same	same	ADJ
ajfsoa-116	48	8	manner	manner	NOUN
ajfsoa-116	48	9	as	as	SCONJ
ajfsoa-116	48	10	described	describe	VERB
ajfsoa-116	48	11	for	for	ADP
ajfsoa-116	48	12	the	the	DET
ajfsoa-116	48	13	key_site_file	key_site_file	NOUN
ajfsoa-116	48	14	.	.	PUNCT
ajfsoa-116	49	1	both	both	DET
ajfsoa-116	49	2	files	file	NOUN
ajfsoa-116	49	3	were	be	AUX
ajfsoa-116	49	4	saved	save	VERB
ajfsoa-116	49	5	in	in	ADP
ajfsoa-116	49	6	pdb	pdb	PROPN
ajfsoa-116	49	7	format	format	NOUN
ajfsoa-116	49	8	such	such	ADJ
ajfsoa-116	49	9	that	that	SCONJ
ajfsoa-116	49	10	they	they	PRON
ajfsoa-116	49	11	could	could	AUX
ajfsoa-116	49	12	be	be	AUX
ajfsoa-116	49	13	later	later	ADV
ajfsoa-116	49	14	used	use	VERB
ajfsoa-116	49	15	in	in	ADP
ajfsoa-116	49	16	the	the	DET
ajfsoa-116	49	17	visualization	visualization	NOUN
ajfsoa-116	49	18	software	software	NOUN
ajfsoa-116	49	19	vmd	vmd	PROPN
ajfsoa-116	49	20	®	®	PROPN
ajfsoa-116	49	21	(	(	PUNCT
ajfsoa-116	49	22	humphrey	humphrey	PROPN
ajfsoa-116	49	23	et	et	PROPN
ajfsoa-116	49	24	al	al	PROPN
ajfsoa-116	49	25	.	.	PROPN
ajfsoa-116	49	26	,	,	PUNCT
ajfsoa-116	49	27	1996	1996	NUM
ajfsoa-116	49	28	)	)	PUNCT
ajfsoa-116	49	29	.	.	PUNCT
ajfsoa-116	50	1	estimation	estimation	NOUN
ajfsoa-116	50	2	of	of	ADP
ajfsoa-116	50	3	the	the	DET
ajfsoa-116	50	4	ligand	ligand	NOUN
ajfsoa-116	50	5	binding	bind	VERB
ajfsoa-116	50	6	affinity	affinity	NOUN
ajfsoa-116	50	7	(	(	PUNCT
ajfsoa-116	50	8	lba	lba	PROPN
ajfsoa-116	50	9	)	)	PUNCT
ajfsoa-116	50	10	of	of	ADP
ajfsoa-116	50	11	the	the	DET
ajfsoa-116	50	12	template	template	NOUN
ajfsoa-116	50	13	ligands	ligand	NOUN
ajfsoa-116	50	14	for	for	ADP
ajfsoa-116	50	15	the	the	DET
ajfsoa-116	50	16	ace	ace	ADJ
ajfsoa-116	50	17	receptor	receptor	NOUN
ajfsoa-116	50	18	the	the	DET
ajfsoa-116	50	19	apo	apo	NOUN
ajfsoa-116	50	20	-	-	PUNCT
ajfsoa-116	50	21	ace	ace	NOUN
ajfsoa-116	50	22	files	file	NOUN
ajfsoa-116	50	23	which	which	PRON
ajfsoa-116	50	24	were	be	AUX
ajfsoa-116	50	25	generated	generate	VERB
ajfsoa-116	50	26	when	when	SCONJ
ajfsoa-116	50	27	the	the	DET
ajfsoa-116	50	28	selected	select	VERB
ajfsoa-116	50	29	pdb	pdb	NOUN
ajfsoa-116	50	30	depositions	deposition	NOUN
ajfsoa-116	50	31	were	be	AUX
ajfsoa-116	50	32	edited	edit	VERB
ajfsoa-116	50	33	together	together	ADV
ajfsoa-116	50	34	,	,	PUNCT
ajfsoa-116	50	35	with	with	ADP
ajfsoa-116	50	36	their	their	PRON
ajfsoa-116	50	37	respective	respective	ADJ
ajfsoa-116	50	38	extracted	extract	VERB
ajfsoa-116	50	39	small	small	ADJ
ajfsoa-116	50	40	molecules	molecule	NOUN
ajfsoa-116	50	41	saved	save	VERB
ajfsoa-116	50	42	in	in	ADP
ajfsoa-116	50	43	mol2	mol2	PROPN
ajfsoa-116	50	44	format	format	NOUN
ajfsoa-116	50	45	,	,	PUNCT
ajfsoa-116	50	46	which	which	PRON
ajfsoa-116	50	47	were	be	AUX
ajfsoa-116	50	48	read	read	VERB
ajfsoa-116	50	49	into	into	ADP
ajfsoa-116	50	50	and	and	CCONJ
ajfsoa-116	50	51	processed	process	VERB
ajfsoa-116	50	52	in	in	ADP
ajfsoa-116	50	53	score	score	NOUN
ajfsoa-116	50	54	®	®	NOUN
ajfsoa-116	50	55	(	(	PUNCT
ajfsoa-116	50	56	wang	wang	PROPN
ajfsoa-116	50	57	et	et	PROPN
ajfsoa-116	50	58	al	al	PROPN
ajfsoa-116	50	59	.	.	PROPN
ajfsoa-116	50	60	,	,	PUNCT
ajfsoa-116	50	61	1998	1998	NUM
ajfsoa-116	50	62	)	)	PUNCT
ajfsoa-116	50	63	.	.	PUNCT
ajfsoa-116	51	1	through	through	ADP
ajfsoa-116	51	2	its	its	PRON
ajfsoa-116	51	3	static	static	ADJ
ajfsoa-116	51	4	algorithm	algorithm	NOUN
ajfsoa-116	51	5	,	,	PUNCT
ajfsoa-116	51	6	the	the	PRON
ajfsoa-116	51	7	in	in	ADP
ajfsoa-116	51	8	silico	silico	NOUN
ajfsoa-116	51	9	provided	provide	VERB
ajfsoa-116	51	10	lba	lba	NOUN
ajfsoa-116	51	11	(	(	PUNCT
ajfsoa-116	51	12	pkd	pkd	PROPN
ajfsoa-116	51	13	)	)	PUNCT
ajfsoa-116	51	14	of	of	ADP
ajfsoa-116	51	15	each	each	PRON
ajfsoa-116	51	16	of	of	ADP
ajfsoa-116	51	17	the	the	DET
ajfsoa-116	51	18	small	small	ADJ
ajfsoa-116	51	19	molecules	molecule	NOUN
ajfsoa-116	51	20	captopril	captopril	NOUN
ajfsoa-116	51	21	,	,	PUNCT
ajfsoa-116	51	22	enalaprilat	enalaprilat	NOUN
ajfsoa-116	51	23	and	and	CCONJ
ajfsoa-116	51	24	lisinopril	lisinopril	PROPN
ajfsoa-116	51	25	and	and	CCONJ
ajfsoa-116	51	26	was	be	AUX
ajfsoa-116	51	27	calculated	calculate	VERB
ajfsoa-116	51	28	for	for	ADP
ajfsoa-116	51	29	the	the	DET
ajfsoa-116	51	30	respective	respective	ADJ
ajfsoa-116	51	31	cognate	cognate	NOUN
ajfsoa-116	51	32	receptor	receptor	NOUN
ajfsoa-116	51	33	.	.	PUNCT
ajfsoa-116	52	1	superimposition	superimposition	NOUN
ajfsoa-116	52	2	of	of	ADP
ajfsoa-116	52	3	the	the	DET
ajfsoa-116	52	4	triterpene	triterpene	ADJ
ajfsoa-116	52	5	molecules	molecule	NOUN
ajfsoa-116	52	6	onto	onto	ADP
ajfsoa-116	52	7	the	the	DET
ajfsoa-116	52	8	bound	bind	VERB
ajfsoa-116	52	9	coordinates	coordinate	NOUN
ajfsoa-116	52	10	and	and	CCONJ
ajfsoa-116	52	11	3d	3d	NUM
ajfsoa-116	52	12	volume	volume	NOUN
ajfsoa-116	52	13	of	of	ADP
ajfsoa-116	52	14	the	the	DET
ajfsoa-116	52	15	template	template	NOUN
ajfsoa-116	52	16	ligands	ligand	NOUN
ajfsoa-116	52	17	in	in	ADP
ajfsoa-116	52	18	this	this	DET
ajfsoa-116	52	19	part	part	NOUN
ajfsoa-116	52	20	of	of	ADP
ajfsoa-116	52	21	the	the	DET
ajfsoa-116	52	22	study	study	NOUN
ajfsoa-116	52	23	,	,	PUNCT
ajfsoa-116	52	24	the	the	DET
ajfsoa-116	52	25	bioactive	bioactive	ADJ
ajfsoa-116	52	26	conformations	conformation	NOUN
ajfsoa-116	52	27	of	of	ADP
ajfsoa-116	52	28	the	the	DET
ajfsoa-116	52	29	small	small	ADJ
ajfsoa-116	52	30	molecules	molecule	NOUN
ajfsoa-116	52	31	captopril	captopril	NOUN
ajfsoa-116	52	32	,	,	PUNCT
ajfsoa-116	52	33	enalaprilat	enalaprilat	NOUN
ajfsoa-116	52	34	and	and	CCONJ
ajfsoa-116	52	35	lisinopril	lisinopril	VERB
ajfsoa-116	52	36	together	together	ADV
ajfsoa-116	52	37	with	with	ADP
ajfsoa-116	52	38	the	the	DET
ajfsoa-116	52	39	3d	3d	NUM
ajfsoa-116	52	40	volumes	volume	NOUN
ajfsoa-116	52	41	which	which	PRON
ajfsoa-116	52	42	they	they	PRON
ajfsoa-116	52	43	occupy	occupy	VERB
ajfsoa-116	52	44	within	within	ADP
ajfsoa-116	52	45	their	their	PRON
ajfsoa-116	52	46	respective	respective	ADJ
ajfsoa-116	52	47	ace	ace	NOUN
ajfsoa-116	52	48	-	-	PUNCT
ajfsoa-116	52	49	lbp	lbp	NOUN
ajfsoa-116	52	50	conformations	conformation	NOUN
ajfsoa-116	52	51	were	be	AUX
ajfsoa-116	52	52	used	use	VERB
ajfsoa-116	52	53	to	to	PART
ajfsoa-116	52	54	guide	guide	VERB
ajfsoa-116	52	55	β	β	NOUN
ajfsoa-116	52	56	-	-	NOUN
ajfsoa-116	52	57	amyrin	amyrin	ADJ
ajfsoa-116	52	58	,	,	PUNCT
ajfsoa-116	52	59	oleanolic	oleanolic	NOUN
ajfsoa-116	52	60	acid	acid	NOUN
ajfsoa-116	52	61	and	and	CCONJ
ajfsoa-116	52	62	ursolic	ursolic	ADJ
ajfsoa-116	52	63	acid	acid	NOUN
ajfsoa-116	52	64	,	,	PUNCT
ajfsoa-116	52	65	all	all	PRON
ajfsoa-116	52	66	of	of	ADP
ajfsoa-116	52	67	which	which	PRON
ajfsoa-116	52	68	are	be	AUX
ajfsoa-116	52	69	constituents	constituent	NOUN
ajfsoa-116	52	70	of	of	ADP
ajfsoa-116	52	71	c.	c.	PROPN
ajfsoa-116	52	72	monogyna	monogyna	PROPN
ajfsoa-116	52	73	,	,	PUNCT
ajfsoa-116	52	74	into	into	ADP
ajfsoa-116	52	75	the	the	DET
ajfsoa-116	52	76	3	3	NUM
ajfsoa-116	52	77	conformations	conformation	NOUN
ajfsoa-116	52	78	of	of	ADP
ajfsoa-116	52	79	the	the	DET
ajfsoa-116	52	80	ace	ace	NOUN
ajfsoa-116	52	81	-	-	PUNCT
ajfsoa-116	52	82	lbp	lbp	NOUN
ajfsoa-116	52	83	.	.	PUNCT
ajfsoa-116	53	1	this	this	PRON
ajfsoa-116	53	2	was	be	AUX
ajfsoa-116	53	3	done	do	VERB
ajfsoa-116	53	4	in	in	ADP
ajfsoa-116	53	5	order	order	NOUN
ajfsoa-116	53	6	to	to	PART
ajfsoa-116	53	7	identify	identify	VERB
ajfsoa-116	53	8	the	the	DET
ajfsoa-116	53	9	highest	high	ADJ
ajfsoa-116	53	10	affinity	affinity	NOUN
ajfsoa-116	53	11	conformers	conformer	NOUN
ajfsoa-116	53	12	for	for	ADP
ajfsoa-116	53	13	each	each	DET
ajfsoa-116	53	14	molecule	molecule	NOUN
ajfsoa-116	53	15	,	,	PUNCT
ajfsoa-116	53	16	and	and	CCONJ
ajfsoa-116	53	17	to	to	PART
ajfsoa-116	53	18	utilise	utilise	VERB
ajfsoa-116	53	19	these	these	PRON
ajfsoa-116	53	20	during	during	ADP
ajfsoa-116	53	21	subsequent	subsequent	ADJ
ajfsoa-116	53	22	stages	stage	NOUN
ajfsoa-116	53	23	of	of	ADP
ajfsoa-116	53	24	the	the	DET
ajfsoa-116	53	25	rational	rational	ADJ
ajfsoa-116	53	26	drug	drug	NOUN
ajfsoa-116	53	27	design	design	NOUN
ajfsoa-116	53	28	process	process	NOUN
ajfsoa-116	53	29	.	.	PUNCT
ajfsoa-116	54	1	identification	identification	NOUN
ajfsoa-116	54	2	of	of	ADP
ajfsoa-116	54	3	the	the	DET
ajfsoa-116	54	4	optimally	optimally	ADV
ajfsoa-116	54	5	binding	binding	ADJ
ajfsoa-116	54	6	conformations	conformation	NOUN
ajfsoa-116	54	7	of	of	ADP
ajfsoa-116	54	8	the	the	DET
ajfsoa-116	54	9	triterpenic	triterpenic	ADJ
ajfsoa-116	54	10	small	small	ADJ
ajfsoa-116	54	11	molecules	molecule	NOUN
ajfsoa-116	54	12	was	be	AUX
ajfsoa-116	54	13	carried	carry	VERB
ajfsoa-116	54	14	out	out	ADP
ajfsoa-116	54	15	using	use	VERB
ajfsoa-116	54	16	the	the	DET
ajfsoa-116	54	17	similarity	similarity	NOUN
ajfsoa-116	54	18	suite	suite	NOUN
ajfsoa-116	54	19	algorithm	algorithm	NOUN
ajfsoa-116	54	20	in	in	ADP
ajfsoa-116	54	21	sybyl	sybyl	PROPN
ajfsoa-116	54	22	®	®	NOUN
ajfsoa-116	54	23	(	(	PUNCT
ajfsoa-116	54	24	sybyl	sybyl	PROPN
ajfsoa-116	54	25	7.3	7.3	NUM
ajfsoa-116	54	26	,	,	PUNCT
ajfsoa-116	54	27	tripos	tripos	PROPN
ajfsoa-116	54	28	international	international	PROPN
ajfsoa-116	54	29	,	,	PUNCT
ajfsoa-116	54	30	cartera	cartera	NOUN
ajfsoa-116	54	31	™	™	PROPN
ajfsoa-116	54	32	)	)	PUNCT
ajfsoa-116	54	33	.	.	PUNCT
ajfsoa-116	55	1	this	this	DET
ajfsoa-116	55	2	algorithm	algorithm	NOUN
ajfsoa-116	55	3	facilitated	facilitate	VERB
ajfsoa-116	55	4	initial	initial	ADJ
ajfsoa-116	55	5	positioning	positioning	NOUN
ajfsoa-116	55	6	of	of	ADP
ajfsoa-116	55	7	each	each	DET
ajfsoa-116	55	8	small	small	ADJ
ajfsoa-116	55	9	molecule	molecule	NOUN
ajfsoa-116	55	10	within	within	ADP
ajfsoa-116	55	11	the	the	DET
ajfsoa-116	55	12	ace	ace	NOUN
ajfsoa-116	55	13	-	-	PUNCT
ajfsoa-116	55	14	lbp	lbp	NOUN
ajfsoa-116	55	15	based	base	VERB
ajfsoa-116	55	16	on	on	ADP
ajfsoa-116	55	17	the	the	DET
ajfsoa-116	55	18	conformation	conformation	NOUN
ajfsoa-116	55	19	of	of	ADP
ajfsoa-116	55	20	its	its	PRON
ajfsoa-116	55	21	cognate	cognate	NOUN
ajfsoa-116	55	22	ligand	ligand	NOUN
ajfsoa-116	55	23	.	.	PUNCT
ajfsoa-116	56	1	subsequent	subsequent	ADJ
ajfsoa-116	56	2	to	to	ADP
ajfsoa-116	56	3	this	this	DET
ajfsoa-116	56	4	process	process	NOUN
ajfsoa-116	56	5	the	the	DET
ajfsoa-116	56	6	triterpenic	triterpenic	ADJ
ajfsoa-116	56	7	molecules	molecule	NOUN
ajfsoa-116	56	8	were	be	AUX
ajfsoa-116	56	9	allowed	allow	VERB
ajfsoa-116	56	10	conformational	conformational	ADJ
ajfsoa-116	56	11	rotation	rotation	NOUN
ajfsoa-116	56	12	within	within	ADP
ajfsoa-116	56	13	each	each	DET
ajfsoa-116	56	14	ace	ace	ADJ
ajfsoa-116	56	15	-	-	PUNCT
ajfsoa-116	56	16	lbp	lbp	NOUN
ajfsoa-116	56	17	conformation	conformation	NOUN
ajfsoa-116	56	18	.	.	PUNCT
ajfsoa-116	57	1	the	the	DET
ajfsoa-116	57	2	21	21	NUM
ajfsoa-116	57	3	conformers	conformer	NOUN
ajfsoa-116	57	4	for	for	ADP
ajfsoa-116	57	5	each	each	DET
ajfsoa-116	57	6	molecule	molecule	NOUN
ajfsoa-116	57	7	which	which	PRON
ajfsoa-116	57	8	exhibited	exhibit	VERB
ajfsoa-116	57	9	optimal	optimal	ADJ
ajfsoa-116	57	10	binding	binding	ADJ
ajfsoa-116	57	11	characteristics	characteristic	NOUN
ajfsoa-116	57	12	were	be	AUX
ajfsoa-116	57	13	selected	select	VERB
ajfsoa-116	57	14	and	and	CCONJ
ajfsoa-116	57	15	their	their	PRON
ajfsoa-116	57	16	in	in	ADP
ajfsoa-116	57	17	silico	silico	NOUN
ajfsoa-116	57	18	lba	lba	NOUN
ajfsoa-116	57	19	(	(	PUNCT
ajfsoa-116	57	20	pkd	pkd	PROPN
ajfsoa-116	57	21	)	)	PUNCT
ajfsoa-116	57	22	was	be	AUX
ajfsoa-116	57	23	then	then	ADV
ajfsoa-116	57	24	quantified	quantify	VERB
ajfsoa-116	57	25	in	in	ADP
ajfsoa-116	57	26	score	score	NOUN
ajfsoa-116	57	27	®	®	NOUN
ajfsoa-116	57	28	(	(	PUNCT
ajfsoa-116	57	29	wang	wang	PROPN
ajfsoa-116	57	30	et	et	PROPN
ajfsoa-116	57	31	al	al	PROPN
ajfsoa-116	57	32	.	.	PROPN
ajfsoa-116	57	33	,	,	PUNCT
ajfsoa-116	57	34	1998	1998	NUM
ajfsoa-116	57	35	)	)	PUNCT
ajfsoa-116	57	36	.	.	PUNCT
ajfsoa-116	57	37	results	result	VERB
ajfsoa-116	57	38	the	the	DET
ajfsoa-116	57	39	in	in	ADP
ajfsoa-116	57	40	silico	silico	NOUN
ajfsoa-116	57	41	lba	lba	NOUN
ajfsoa-116	57	42	(	(	PUNCT
ajfsoa-116	57	43	pkd	pkd	PROPN
ajfsoa-116	57	44	)	)	PUNCT
ajfsoa-116	57	45	of	of	ADP
ajfsoa-116	57	46	captopril	captopril	NOUN
ajfsoa-116	57	47	,	,	PUNCT
ajfsoa-116	57	48	enalaprilat	enalaprilat	NOUN
ajfsoa-116	57	49	and	and	CCONJ
ajfsoa-116	57	50	lisinopril	lisinopril	NOUN
ajfsoa-116	57	51	for	for	ADP
ajfsoa-116	57	52	their	their	PRON
ajfsoa-116	57	53	cognate	cognate	NOUN
ajfsoa-116	57	54	receptor	receptor	NOUN
ajfsoa-116	57	55	was	be	AUX
ajfsoa-116	57	56	predicted	predict	VERB
ajfsoa-116	57	57	to	to	PART
ajfsoa-116	57	58	be	be	AUX
ajfsoa-116	57	59	5.36	5.36	NUM
ajfsoa-116	57	60	,	,	PUNCT
ajfsoa-116	57	61	6.44	6.44	NUM
ajfsoa-116	57	62	and	and	CCONJ
ajfsoa-116	57	63	6.53	6.53	NUM
ajfsoa-116	57	64	,	,	PUNCT
ajfsoa-116	57	65	respectively	respectively	ADV
ajfsoa-116	57	66	.	.	PUNCT
ajfsoa-116	58	1	significant	significant	ADJ
ajfsoa-116	58	2	differences	difference	NOUN
ajfsoa-116	58	3	in	in	ADP
ajfsoa-116	58	4	ace	ace	NOUN
ajfsoa-116	58	5	-	-	PUNCT
ajfsoa-116	58	6	lbp	lbp	NOUN
ajfsoa-116	58	7	occupation	occupation	NOUN
ajfsoa-116	58	8	by	by	ADP
ajfsoa-116	58	9	captopril	captopril	PROPN
ajfsoa-116	58	10	,	,	PUNCT
ajfsoa-116	58	11	enalaprilat	enalaprilat	ADJ
ajfsoa-116	58	12	and	and	CCONJ
ajfsoa-116	58	13	lisinopril	lisinopril	NOUN
ajfsoa-116	58	14	could	could	AUX
ajfsoa-116	58	15	be	be	AUX
ajfsoa-116	58	16	seen	see	VERB
ajfsoa-116	58	17	when	when	SCONJ
ajfsoa-116	58	18	the	the	DET
ajfsoa-116	58	19	lbp	lbp	PROPN
ajfsoa-116	58	20	maps	map	NOUN
ajfsoa-116	58	21	generated	generate	VERB
ajfsoa-116	58	22	by	by	ADP
ajfsoa-116	58	23	072	072	NUM
ajfsoa-116	58	24	afr	afr	NOUN
ajfsoa-116	58	25	.	.	PUNCT
ajfsoa-116	59	1	j.	j.	PROPN
ajfsoa-116	59	2	food	food	PROPN
ajfsoa-116	59	3	sci.res	sci.res	PROPN
ajfsoa-116	59	4	.	.	PUNCT
ajfsoa-116	59	5	table	table	NOUN
ajfsoa-116	59	6	1	1	NUM
ajfsoa-116	59	7	.	.	PUNCT
ajfsoa-116	60	1	the	the	DET
ajfsoa-116	60	2	lba	lba	NOUN
ajfsoa-116	60	3	(	(	PUNCT
ajfsoa-116	60	4	pkd	pkd	PROPN
ajfsoa-116	60	5	)	)	PUNCT
ajfsoa-116	60	6	of	of	ADP
ajfsoa-116	60	7	the	the	DET
ajfsoa-116	60	8	21	21	NUM
ajfsoa-116	60	9	optimally	optimally	ADV
ajfsoa-116	60	10	binding	bind	VERB
ajfsoa-116	60	11	conformers	conformer	NOUN
ajfsoa-116	60	12	of	of	ADP
ajfsoa-116	60	13	each	each	DET
ajfsoa-116	60	14	terpene	terpene	NOUN
ajfsoa-116	60	15	ligand	ligand	NOUN
ajfsoa-116	60	16	based	base	VERB
ajfsoa-116	60	17	on	on	ADP
ajfsoa-116	60	18	the	the	DET
ajfsoa-116	60	19	three	three	NUM
ajfsoa-116	60	20	different	different	ADJ
ajfsoa-116	60	21	template	template	NOUN
ajfsoa-116	60	22	ligands	ligand	NOUN
ajfsoa-116	60	23	employed	employ	VERB
ajfsoa-116	60	24	in	in	ADP
ajfsoa-116	60	25	this	this	DET
ajfsoa-116	60	26	study	study	NOUN
ajfsoa-116	60	27	as	as	SCONJ
ajfsoa-116	60	28	calculated	calculate	VERB
ajfsoa-116	60	29	in	in	ADP
ajfsoa-116	60	30	score	score	NOUN
ajfsoa-116	60	31	®	®	NOUN
ajfsoa-116	60	32	.	.	PUNCT
ajfsoa-116	61	1	captopril	captopril	PROPN
ajfsoa-116	61	2	enalaprilat	enalaprilat	PROPN
ajfsoa-116	61	3	lisinopril	lisinopril	PROPN
ajfsoa-116	61	4	β	β	PROPN
ajfsoa-116	61	5	-	-	PUNCT
ajfsoa-116	61	6	amyrin	amyrin	NOUN
ajfsoa-116	61	7	oleanolic	oleanolic	NOUN
ajfsoa-116	61	8	ursolic	ursolic	ADJ
ajfsoa-116	61	9	β	β	NOUN
ajfsoa-116	61	10	-	-	ADJ
ajfsoa-116	61	11	amyrin	amyrin	ADJ
ajfsoa-116	61	12	oleanolic	oleanolic	NOUN
ajfsoa-116	61	13	ursolic	ursolic	ADJ
ajfsoa-116	61	14	β	β	NOUN
ajfsoa-116	61	15	-	-	ADJ
ajfsoa-116	61	16	amyrin	amyrin	ADJ
ajfsoa-116	61	17	oleanolic	oleanolic	PROPN
ajfsoa-116	61	18	ursolic	ursolic	ADJ
ajfsoa-116	61	19	acid	acid	NOUN
ajfsoa-116	61	20	acid	acid	NOUN
ajfsoa-116	61	21	acid	acid	NOUN
ajfsoa-116	61	22	acid	acid	NOUN
ajfsoa-116	61	23	acid	acid	NOUN
ajfsoa-116	61	24	acid	acid	NOUN
ajfsoa-116	61	25	6.56	6.56	NUM
ajfsoa-116	61	26	6.95	6.95	NUM
ajfsoa-116	61	27	6.74	6.74	NUM
ajfsoa-116	61	28	7.03	7.03	NUM
ajfsoa-116	61	29	7.04	7.04	NUM
ajfsoa-116	61	30	7.26	7.26	NUM
ajfsoa-116	61	31	6.98	6.98	NUM
ajfsoa-116	61	32	6.78	6.78	NUM
ajfsoa-116	61	33	7.37	7.37	NUM
ajfsoa-116	61	34	6.56	6.56	NUM
ajfsoa-116	61	35	6.95	6.95	NUM
ajfsoa-116	61	36	6.74	6.74	NUM
ajfsoa-116	61	37	7.00	7.00	NUM
ajfsoa-116	61	38	7.13	7.13	NUM
ajfsoa-116	61	39	7.23	7.23	NUM
ajfsoa-116	61	40	7.05	7.05	NUM
ajfsoa-116	61	41	6.66	6.66	NUM
ajfsoa-116	61	42	7.34	7.34	NUM
ajfsoa-116	61	43	6.30	6.30	NUM
ajfsoa-116	61	44	7.04	7.04	NUM
ajfsoa-116	61	45	6.82	6.82	NUM
ajfsoa-116	61	46	7.24	7.24	NUM
ajfsoa-116	61	47	7.14	7.14	NUM
ajfsoa-116	61	48	7.35	7.35	NUM
ajfsoa-116	61	49	6.81	6.81	NUM
ajfsoa-116	61	50	7.19	7.19	NUM
ajfsoa-116	61	51	7.41	7.41	NUM
ajfsoa-116	61	52	6.55	6.55	NUM
ajfsoa-116	61	53	6.62	6.62	NUM
ajfsoa-116	61	54	6.68	6.68	NUM
ajfsoa-116	61	55	7.10	7.10	NUM
ajfsoa-116	61	56	7.21	7.21	NUM
ajfsoa-116	61	57	7.21	7.21	NUM
ajfsoa-116	61	58	7.09	7.09	NUM
ajfsoa-116	61	59	6.93	6.93	NUM
ajfsoa-116	61	60	6.95	6.95	NUM
ajfsoa-116	61	61	6.56	6.56	NUM
ajfsoa-116	61	62	6.70	6.70	NUM
ajfsoa-116	61	63	6.69	6.69	NUM
ajfsoa-116	61	64	7.04	7.04	NUM
ajfsoa-116	61	65	7.17	7.17	NUM
ajfsoa-116	61	66	7.15	7.15	NUM
ajfsoa-116	61	67	7.11	7.11	NUM
ajfsoa-116	61	68	6.94	6.94	NUM
ajfsoa-116	61	69	6.85	6.85	NUM
ajfsoa-116	61	70	6.62	6.62	NUM
ajfsoa-116	61	71	6.64	6.64	NUM
ajfsoa-116	61	72	7.18	7.18	NUM
ajfsoa-116	61	73	7.15	7.15	NUM
ajfsoa-116	61	74	7.13	7.13	NUM
ajfsoa-116	61	75	7.59	7.59	NUM
ajfsoa-116	61	76	7.00	7.00	NUM
ajfsoa-116	61	77	7.00	7.00	NUM
ajfsoa-116	61	78	6.96	6.96	NUM
ajfsoa-116	61	79	6.74	6.74	NUM
ajfsoa-116	61	80	6.68	6.68	NUM
ajfsoa-116	61	81	7.14	7.14	NUM
ajfsoa-116	61	82	7.18	7.18	NUM
ajfsoa-116	61	83	7.20	7.20	NUM
ajfsoa-116	61	84	7.29	7.29	NUM
ajfsoa-116	61	85	6.64	6.64	NUM
ajfsoa-116	61	86	7.04	7.04	NUM
ajfsoa-116	61	87	7.02	7.02	NUM
ajfsoa-116	61	88	6.63	6.63	NUM
ajfsoa-116	61	89	6.94	6.94	NUM
ajfsoa-116	61	90	6.53	6.53	NUM
ajfsoa-116	61	91	7.03	7.03	NUM
ajfsoa-116	61	92	7.20	7.20	NUM
ajfsoa-116	61	93	7.19	7.19	NUM
ajfsoa-116	61	94	6.89	6.89	NUM
ajfsoa-116	61	95	6.99	6.99	NUM
ajfsoa-116	61	96	7.30	7.30	NUM
ajfsoa-116	61	97	6.60	6.60	NUM
ajfsoa-116	61	98	6.99	6.99	NUM
ajfsoa-116	61	99	6.94	6.94	NUM
ajfsoa-116	61	100	6.94	6.94	NUM
ajfsoa-116	61	101	7.19	7.19	NUM
ajfsoa-116	61	102	7.36	7.36	NUM
ajfsoa-116	61	103	6.62	6.62	NUM
ajfsoa-116	61	104	6.89	6.89	NUM
ajfsoa-116	61	105	7.34	7.34	NUM
ajfsoa-116	61	106	7.25	7.25	NUM
ajfsoa-116	61	107	6.53	6.53	NUM
ajfsoa-116	61	108	7.27	7.27	NUM
ajfsoa-116	61	109	7.30	7.30	NUM
ajfsoa-116	61	110	7.41	7.41	NUM
ajfsoa-116	61	111	7.25	7.25	NUM
ajfsoa-116	61	112	6.53	6.53	NUM
ajfsoa-116	61	113	7.35	7.35	NUM
ajfsoa-116	61	114	6.85	6.85	NUM
ajfsoa-116	61	115	6.57	6.57	NUM
ajfsoa-116	61	116	6.94	6.94	NUM
ajfsoa-116	61	117	7.30	7.30	NUM
ajfsoa-116	61	118	7.25	7.25	NUM
ajfsoa-116	61	119	7.05	7.05	NUM
ajfsoa-116	61	120	7.31	7.31	NUM
ajfsoa-116	61	121	7.25	7.25	NUM
ajfsoa-116	61	122	6.59	6.59	NUM
ajfsoa-116	61	123	7.27	7.27	NUM
ajfsoa-116	61	124	6.67	6.67	NUM
ajfsoa-116	61	125	6.89	6.89	NUM
ajfsoa-116	61	126	7.24	7.24	NUM
ajfsoa-116	61	127	7.20	7.20	NUM
ajfsoa-116	61	128	7.42	7.42	NUM
ajfsoa-116	61	129	6.93	6.93	NUM
ajfsoa-116	61	130	6.88	6.88	NUM
ajfsoa-116	61	131	6.87	6.87	NUM
ajfsoa-116	61	132	7.08	7.08	NUM
ajfsoa-116	61	133	6.61	6.61	NUM
ajfsoa-116	61	134	6.64	6.64	NUM
ajfsoa-116	61	135	7.29	7.29	NUM
ajfsoa-116	61	136	7.20	7.20	NUM
ajfsoa-116	61	137	7.43	7.43	NUM
ajfsoa-116	61	138	7.42	7.42	NUM
ajfsoa-116	61	139	6.89	6.89	NUM
ajfsoa-116	61	140	6.90	6.90	NUM
ajfsoa-116	61	141	7.05	7.05	NUM
ajfsoa-116	61	142	6.64	6.64	NUM
ajfsoa-116	61	143	6.69	6.69	NUM
ajfsoa-116	61	144	7.69	7.69	NUM
ajfsoa-116	61	145	6.69	6.69	NUM
ajfsoa-116	61	146	7.44	7.44	NUM
ajfsoa-116	61	147	7.43	7.43	NUM
ajfsoa-116	61	148	6.94	6.94	NUM
ajfsoa-116	61	149	6.90	6.90	NUM
ajfsoa-116	61	150	7.17	7.17	NUM
ajfsoa-116	61	151	6.56	6.56	NUM
ajfsoa-116	61	152	6.98	6.98	NUM
ajfsoa-116	61	153	7.84	7.84	NUM
ajfsoa-116	61	154	6.67	6.67	NUM
ajfsoa-116	61	155	7.46	7.46	NUM
ajfsoa-116	61	156	7.26	7.26	NUM
ajfsoa-116	61	157	6.94	6.94	NUM
ajfsoa-116	61	158	6.52	6.52	NUM
ajfsoa-116	61	159	7.07	7.07	NUM
ajfsoa-116	61	160	6.47	6.47	NUM
ajfsoa-116	61	161	6.36	6.36	NUM
ajfsoa-116	61	162	7.11	7.11	NUM
ajfsoa-116	61	163	6.68	6.68	NUM
ajfsoa-116	61	164	7.25	7.25	NUM
ajfsoa-116	61	165	7.08	7.08	NUM
ajfsoa-116	61	166	6.55	6.55	NUM
ajfsoa-116	61	167	6.52	6.52	NUM
ajfsoa-116	61	168	6.62	6.62	NUM
ajfsoa-116	61	169	6.47	6.47	NUM
ajfsoa-116	61	170	6.94	6.94	NUM
ajfsoa-116	61	171	7.79	7.79	NUM
ajfsoa-116	61	172	6.77	6.77	NUM
ajfsoa-116	61	173	7.29	7.29	NUM
ajfsoa-116	61	174	7.21	7.21	NUM
ajfsoa-116	61	175	6.74	6.74	NUM
ajfsoa-116	61	176	6.37	6.37	NUM
ajfsoa-116	61	177	6.81	6.81	NUM
ajfsoa-116	61	178	6.47	6.47	NUM
ajfsoa-116	61	179	6.47	6.47	NUM
ajfsoa-116	61	180	7.15	7.15	NUM
ajfsoa-116	61	181	7.05	7.05	NUM
ajfsoa-116	61	182	7.11	7.11	NUM
ajfsoa-116	61	183	7.20	7.20	NUM
ajfsoa-116	61	184	6.39	6.39	NUM
ajfsoa-116	61	185	6.73	6.73	NUM
ajfsoa-116	61	186	6.63	6.63	NUM
ajfsoa-116	61	187	6.82	6.82	NUM
ajfsoa-116	61	188	6.61	6.61	NUM
ajfsoa-116	61	189	7.41	7.41	NUM
ajfsoa-116	61	190	6.80	6.80	NUM
ajfsoa-116	61	191	7.02	7.02	NUM
ajfsoa-116	61	192	6.67	6.67	NUM
ajfsoa-116	61	193	6.68	6.68	NUM
ajfsoa-116	61	194	6.74	6.74	NUM
ajfsoa-116	61	195	6.80	6.80	NUM
ajfsoa-116	61	196	6.86	6.86	NUM
ajfsoa-116	61	197	6.17	6.17	NUM
ajfsoa-116	61	198	6.76	6.76	NUM
ajfsoa-116	61	199	6.77	6.77	NUM
ajfsoa-116	61	200	7.05	7.05	NUM
ajfsoa-116	61	201	6.58	6.58	NUM
ajfsoa-116	61	202	6.74	6.74	NUM
ajfsoa-116	61	203	6.11	6.11	NUM
ajfsoa-116	61	204	6.55	6.55	NUM
ajfsoa-116	61	205	6.56	6.56	NUM
ajfsoa-116	61	206	6.95	6.95	NUM
ajfsoa-116	61	207	6.83	6.83	NUM
ajfsoa-116	61	208	7.03	7.03	NUM
ajfsoa-116	61	209	7.04	7.04	NUM
ajfsoa-116	61	210	7.26	7.26	NUM
ajfsoa-116	61	211	6.98	6.98	NUM
ajfsoa-116	61	212	6.78	6.78	NUM
ajfsoa-116	61	213	7.37	7.37	NUM
ajfsoa-116	61	214	figure	figure	NOUN
ajfsoa-116	61	215	1	1	NUM
ajfsoa-116	61	216	.	.	PUNCT
ajfsoa-116	61	217	key	key	ADJ
ajfsoa-116	61	218	interaction	interaction	NOUN
ajfsoa-116	61	219	sites	site	NOUN
ajfsoa-116	61	220	of	of	ADP
ajfsoa-116	61	221	captopril	captopril	NOUN
ajfsoa-116	61	222	(	(	PUNCT
ajfsoa-116	61	223	in	in	ADP
ajfsoa-116	61	224	orange	orange	PROPN
ajfsoa-116	61	225	)	)	PUNCT
ajfsoa-116	61	226	,	,	PUNCT
ajfsoa-116	61	227	enalaprilat	enalaprilat	NOUN
ajfsoa-116	61	228	(	(	PUNCT
ajfsoa-116	61	229	in	in	ADP
ajfsoa-116	61	230	green	green	NOUN
ajfsoa-116	61	231	)	)	PUNCT
ajfsoa-116	61	232	and	and	CCONJ
ajfsoa-116	61	233	lisinopril	lisinopril	PROPN
ajfsoa-116	61	234	(	(	PUNCT
ajfsoa-116	61	235	in	in	ADP
ajfsoa-116	61	236	blue	blue	ADJ
ajfsoa-116	61	237	)	)	PUNCT
ajfsoa-116	61	238	rendered	render	VERB
ajfsoa-116	61	239	in	in	ADP
ajfsoa-116	61	240	vmd	vmd	PROPN
ajfsoa-116	61	241	®	®	PROPN
ajfsoa-116	61	242	.	.	PUNCT
ajfsoa-116	62	1	figure	figure	VERB
ajfsoa-116	62	2	2	2	NUM
ajfsoa-116	62	3	.	.	PUNCT
ajfsoa-116	62	4	proposed	propose	VERB
ajfsoa-116	62	5	pharmacophores	pharmacophore	NOUN
ajfsoa-116	62	6	of	of	ADP
ajfsoa-116	62	7	captopril	captopril	NOUN
ajfsoa-116	62	8	(	(	PUNCT
ajfsoa-116	62	9	in	in	ADP
ajfsoa-116	62	10	orange	orange	PROPN
ajfsoa-116	62	11	)	)	PUNCT
ajfsoa-116	62	12	,	,	PUNCT
ajfsoa-116	62	13	enalaprilat	enalaprilat	NOUN
ajfsoa-116	62	14	(	(	PUNCT
ajfsoa-116	62	15	in	in	ADP
ajfsoa-116	62	16	green	green	NOUN
ajfsoa-116	62	17	)	)	PUNCT
ajfsoa-116	62	18	and	and	CCONJ
ajfsoa-116	62	19	lisinopril	lisinopril	PROPN
ajfsoa-116	62	20	(	(	PUNCT
ajfsoa-116	62	21	in	in	ADP
ajfsoa-116	62	22	blue	blue	ADJ
ajfsoa-116	62	23	)	)	PUNCT
ajfsoa-116	62	24	rendered	render	VERB
ajfsoa-116	62	25	in	in	ADP
ajfsoa-116	62	26	vmd	vmd	PROPN
ajfsoa-116	62	27	®	®	PROPN
ajfsoa-116	62	28	.	.	PUNCT
ajfsoa-116	63	1	each	each	DET
ajfsoa-116	63	2	molecule	molecule	NOUN
ajfsoa-116	63	3	were	be	AUX
ajfsoa-116	63	4	compared	compare	VERB
ajfsoa-116	63	5	(	(	PUNCT
ajfsoa-116	63	6	figure	figure	NOUN
ajfsoa-116	63	7	1	1	NUM
ajfsoa-116	63	8	)	)	PUNCT
ajfsoa-116	63	9	.	.	PUNCT
ajfsoa-116	64	1	similarly	similarly	ADV
ajfsoa-116	64	2	,	,	PUNCT
ajfsoa-116	64	3	the	the	DET
ajfsoa-116	64	4	proposed	propose	VERB
ajfsoa-116	64	5	pharmacophores	pharmacophore	NOUN
ajfsoa-116	64	6	in	in	ADP
ajfsoa-116	64	7	each	each	DET
ajfsoa-116	64	8	case	case	NOUN
ajfsoa-116	64	9	were	be	AUX
ajfsoa-116	64	10	also	also	ADV
ajfsoa-116	64	11	dissimilar	dissimilar	ADJ
ajfsoa-116	64	12	(	(	PUNCT
ajfsoa-116	64	13	figure	figure	NOUN
ajfsoa-116	64	14	2	2	NUM
ajfsoa-116	64	15	)	)	PUNCT
ajfsoa-116	64	16	.	.	PUNCT
ajfsoa-116	65	1	the	the	DET
ajfsoa-116	65	2	lbas	lbas	PROPN
ajfsoa-116	65	3	of	of	ADP
ajfsoa-116	65	4	the	the	DET
ajfsoa-116	65	5	21	21	NUM
ajfsoa-116	65	6	optimally	optimally	ADV
ajfsoa-116	65	7	binding	bind	VERB
ajfsoa-116	65	8	conformers	conformer	NOUN
ajfsoa-116	65	9	of	of	ADP
ajfsoa-116	65	10	β	β	NOUN
ajfsoa-116	65	11	-	-	NOUN
ajfsoa-116	65	12	amyrin	amyrin	ADJ
ajfsoa-116	65	13	,	,	PUNCT
ajfsoa-116	65	14	oleanolic	oleanolic	NOUN
ajfsoa-116	65	15	acid	acid	NOUN
ajfsoa-116	65	16	and	and	CCONJ
ajfsoa-116	65	17	ursolic	ursolic	ADJ
ajfsoa-116	65	18	acid	acid	NOUN
ajfsoa-116	65	19	for	for	ADP
ajfsoa-116	65	20	the	the	DET
ajfsoa-116	65	21	captopril-	captopril-	NOUN
ajfsoa-116	65	22	,	,	PUNCT
ajfsoa-116	65	23	enalaprilatand	enalaprilatand	NOUN
ajfsoa-116	65	24	lisinoprilbound	lisinoprilbound	NOUN
ajfsoa-116	65	25	conformations	conformation	NOUN
ajfsoa-116	65	26	of	of	ADP
ajfsoa-116	65	27	the	the	DET
ajfsoa-116	65	28	ace	ace	NOUN
ajfsoa-116	65	29	were	be	AUX
ajfsoa-116	65	30	calculated	calculate	VERB
ajfsoa-116	65	31	and	and	CCONJ
ajfsoa-116	65	32	are	be	AUX
ajfsoa-116	65	33	shown	show	VERB
ajfsoa-116	65	34	in	in	ADP
ajfsoa-116	65	35	table	table	NOUN
ajfsoa-116	65	36	1	1	NUM
ajfsoa-116	65	37	.	.	PUNCT
ajfsoa-116	66	1	the	the	DET
ajfsoa-116	66	2	most	most	ADV
ajfsoa-116	66	3	salient	salient	NOUN
ajfsoa-116	66	4	finding	finding	NOUN
ajfsoa-116	66	5	in	in	ADP
ajfsoa-116	66	6	this	this	DET
ajfsoa-116	66	7	case	case	NOUN
ajfsoa-116	66	8	was	be	AUX
ajfsoa-116	66	9	that	that	SCONJ
ajfsoa-116	66	10	the	the	DET
ajfsoa-116	66	11	predicted	predict	VERB
ajfsoa-116	66	12	in	in	ADP
ajfsoa-116	66	13	silico	silico	NOUN
ajfsoa-116	66	14	lbas	lbas	PRON
ajfsoa-116	66	15	of	of	ADP
ajfsoa-116	66	16	all	all	DET
ajfsoa-116	66	17	3	3	NUM
ajfsoa-116	66	18	experimental	experimental	ADJ
ajfsoa-116	66	19	triterpenes	triterpene	NOUN
ajfsoa-116	66	20	(	(	PUNCT
ajfsoa-116	66	21	pkd	pkd	PROPN
ajfsoa-116	66	22	7.25	7.25	NUM
ajfsoa-116	66	23	,	,	PUNCT
ajfsoa-116	66	24	7.46	7.46	NUM
ajfsoa-116	66	25	and	and	CCONJ
ajfsoa-116	66	26	7.84	7.84	NUM
ajfsoa-116	66	27	)	)	PUNCT
ajfsoa-116	66	28	exceeded	exceed	VERB
ajfsoa-116	66	29	those	those	PRON
ajfsoa-116	66	30	calculated	calculate	VERB
ajfsoa-116	66	31	for	for	ADP
ajfsoa-116	66	32	captopril	captopril	NOUN
ajfsoa-116	66	33	,	,	PUNCT
ajfsoa-116	66	34	enalaprilat	enalaprilat	NOUN
ajfsoa-116	66	35	and	and	CCONJ
ajfsoa-116	66	36	lisinopril	lisinopril	PROPN
ajfsoa-116	66	37	(	(	PUNCT
ajfsoa-116	66	38	pkd	pkd	PROPN
ajfsoa-116	66	39	5.36	5.36	NUM
ajfsoa-116	66	40	,	,	PUNCT
ajfsoa-116	66	41	6.44	6.44	NUM
ajfsoa-116	66	42	and	and	CCONJ
ajfsoa-116	66	43	6.53	6.53	NUM
ajfsoa-116	66	44	,	,	PUNCT
ajfsoa-116	66	45	respectively	respectively	ADV
ajfsoa-116	66	46	)	)	PUNCT
ajfsoa-116	66	47	.	.	PUNCT
ajfsoa-116	67	1	discussion	discussion	NOUN
ajfsoa-116	67	2	this	this	PRON
ajfsoa-116	67	3	in	in	ADP
ajfsoa-116	67	4	silico	silico	NOUN
ajfsoa-116	67	5	study	study	NOUN
ajfsoa-116	67	6	further	far	ADV
ajfsoa-116	67	7	corroborates	corroborate	VERB
ajfsoa-116	67	8	the	the	DET
ajfsoa-116	67	9	hypothesis	hypothesis	NOUN
ajfsoa-116	67	10	habib	habib	PROPN
ajfsoa-116	67	11	et	et	PROPN
ajfsoa-116	67	12	al	al	PROPN
ajfsoa-116	67	13	073	073	NUM
ajfsoa-116	67	14	of	of	ADP
ajfsoa-116	67	15	attard	attard	PROPN
ajfsoa-116	67	16	and	and	CCONJ
ajfsoa-116	67	17	attard	attard	PROPN
ajfsoa-116	67	18	(	(	PUNCT
ajfsoa-116	67	19	2006	2006	NUM
ajfsoa-116	67	20	)	)	PUNCT
ajfsoa-116	67	21	that	that	SCONJ
ajfsoa-116	67	22	the	the	DET
ajfsoa-116	67	23	triterpenic	triterpenic	ADJ
ajfsoa-116	67	24	extract	extract	NOUN
ajfsoa-116	67	25	of	of	ADP
ajfsoa-116	67	26	c.	c.	NOUN
ajfsoa-116	67	27	monogyna	monogyna	PROPN
ajfsoa-116	67	28	has	have	AUX
ajfsoa-116	67	29	ace	ace	VERB
ajfsoa-116	67	30	inhibitory	inhibitory	ADJ
ajfsoa-116	67	31	activity	activity	NOUN
ajfsoa-116	67	32	.	.	PUNCT
ajfsoa-116	68	1	all	all	DET
ajfsoa-116	68	2	three	three	NUM
ajfsoa-116	68	3	molecules	molecule	NOUN
ajfsoa-116	68	4	β	β	NOUN
ajfsoa-116	68	5	-	-	NOUN
ajfsoa-116	68	6	amyrin	amyrin	ADJ
ajfsoa-116	68	7	,	,	PUNCT
ajfsoa-116	68	8	oleanolic	oleanolic	NOUN
ajfsoa-116	68	9	acid	acid	NOUN
ajfsoa-116	68	10	and	and	CCONJ
ajfsoa-116	68	11	ursolic	ursolic	ADJ
ajfsoa-116	68	12	acid	acid	NOUN
ajfsoa-116	68	13	exhibit	exhibit	NOUN
ajfsoa-116	68	14	binding	bind	VERB
ajfsoa-116	68	15	affinities	affinity	NOUN
ajfsoa-116	68	16	(	(	PUNCT
ajfsoa-116	68	17	7.25	7.25	NUM
ajfsoa-116	68	18	,	,	PUNCT
ajfsoa-116	68	19	7.46	7.46	NUM
ajfsoa-116	68	20	and	and	CCONJ
ajfsoa-116	68	21	7.84	7.84	NUM
ajfsoa-116	68	22	,	,	PUNCT
ajfsoa-116	68	23	respectively	respectively	ADV
ajfsoa-116	68	24	)	)	PUNCT
ajfsoa-116	68	25	that	that	PRON
ajfsoa-116	68	26	are	be	AUX
ajfsoa-116	68	27	superior	superior	ADJ
ajfsoa-116	68	28	to	to	ADP
ajfsoa-116	68	29	those	those	PRON
ajfsoa-116	68	30	of	of	ADP
ajfsoa-116	68	31	captopril	captopril	NOUN
ajfsoa-116	68	32	,	,	PUNCT
ajfsoa-116	68	33	enalaprilat	enalaprilat	NOUN
ajfsoa-116	68	34	and	and	CCONJ
ajfsoa-116	68	35	lisinopril	lisinopril	PROPN
ajfsoa-116	68	36	(	(	PUNCT
ajfsoa-116	68	37	5.36	5.36	NUM
ajfsoa-116	68	38	.	.	NOUN
ajfsoa-116	68	39	6.44	6.44	NUM
ajfsoa-116	68	40	and	and	CCONJ
ajfsoa-116	68	41	6.53	6.53	NUM
ajfsoa-116	68	42	,	,	PUNCT
ajfsoa-116	68	43	respectively	respectively	ADV
ajfsoa-116	68	44	)	)	PUNCT
ajfsoa-116	68	45	,	,	PUNCT
ajfsoa-116	68	46	implying	imply	VERB
ajfsoa-116	68	47	a	a	DET
ajfsoa-116	68	48	superior	superior	ADJ
ajfsoa-116	68	49	inhibitory	inhibitory	ADJ
ajfsoa-116	68	50	activity	activity	NOUN
ajfsoa-116	68	51	when	when	SCONJ
ajfsoa-116	68	52	compared	compare	VERB
ajfsoa-116	68	53	to	to	ADP
ajfsoa-116	68	54	the	the	DET
ajfsoa-116	68	55	ace	ace	ADJ
ajfsoa-116	68	56	inhibitors	inhibitor	NOUN
ajfsoa-116	68	57	that	that	PRON
ajfsoa-116	68	58	are	be	AUX
ajfsoa-116	68	59	currently	currently	ADV
ajfsoa-116	68	60	in	in	ADP
ajfsoa-116	68	61	widespread	widespread	ADJ
ajfsoa-116	68	62	clinical	clinical	ADJ
ajfsoa-116	68	63	use	use	NOUN
ajfsoa-116	68	64	.	.	PUNCT
ajfsoa-116	69	1	although	although	SCONJ
ajfsoa-116	69	2	this	this	DET
ajfsoa-116	69	3	study	study	NOUN
ajfsoa-116	69	4	utilised	utilise	VERB
ajfsoa-116	69	5	algorithms	algorithm	NOUN
ajfsoa-116	69	6	that	that	PRON
ajfsoa-116	69	7	were	be	AUX
ajfsoa-116	69	8	static	static	ADJ
ajfsoa-116	69	9	,	,	PUNCT
ajfsoa-116	69	10	it	it	PRON
ajfsoa-116	69	11	was	be	AUX
ajfsoa-116	69	12	still	still	ADV
ajfsoa-116	69	13	possible	possible	ADJ
ajfsoa-116	69	14	to	to	PART
ajfsoa-116	69	15	infer	infer	VERB
ajfsoa-116	69	16	the	the	DET
ajfsoa-116	69	17	importance	importance	NOUN
ajfsoa-116	69	18	of	of	ADP
ajfsoa-116	69	19	understanding	understand	VERB
ajfsoa-116	69	20	the	the	DET
ajfsoa-116	69	21	dynamic	dynamic	ADJ
ajfsoa-116	69	22	nature	nature	NOUN
ajfsoa-116	69	23	of	of	ADP
ajfsoa-116	69	24	both	both	CCONJ
ajfsoa-116	69	25	the	the	DET
ajfsoa-116	69	26	ace	ace	NOUN
ajfsoa-116	69	27	and	and	CCONJ
ajfsoa-116	69	28	its	its	PRON
ajfsoa-116	69	29	cognate	cognate	ADJ
ajfsoa-116	69	30	small	small	ADJ
ajfsoa-116	69	31	molecules	molecule	NOUN
ajfsoa-116	69	32	.	.	PUNCT
ajfsoa-116	70	1	this	this	PRON
ajfsoa-116	70	2	is	be	AUX
ajfsoa-116	70	3	borne	bear	VERB
ajfsoa-116	70	4	out	out	ADP
ajfsoa-116	70	5	by	by	ADP
ajfsoa-116	70	6	the	the	DET
ajfsoa-116	70	7	fact	fact	NOUN
ajfsoa-116	70	8	that	that	SCONJ
ajfsoa-116	70	9	ace	ace	NOUN
ajfsoa-116	70	10	-	-	PUNCT
ajfsoa-116	70	11	lbp	lbp	NOUN
ajfsoa-116	70	12	maps	map	NOUN
ajfsoa-116	70	13	and	and	CCONJ
ajfsoa-116	70	14	proposed	propose	VERB
ajfsoa-116	70	15	pharmacophores	pharmacophore	NOUN
ajfsoa-116	70	16	were	be	AUX
ajfsoa-116	70	17	obtained	obtain	VERB
ajfsoa-116	70	18	that	that	SCONJ
ajfsoa-116	70	19	differed	differ	VERB
ajfsoa-116	70	20	according	accord	VERB
ajfsoa-116	70	21	to	to	ADP
ajfsoa-116	70	22	resident	resident	NOUN
ajfsoa-116	70	23	ligand	ligand	NOUN
ajfsoa-116	70	24	.	.	PUNCT
ajfsoa-116	71	1	this	this	PRON
ajfsoa-116	71	2	was	be	AUX
ajfsoa-116	71	3	indicative	indicative	ADJ
ajfsoa-116	71	4	of	of	ADP
ajfsoa-116	71	5	the	the	DET
ajfsoa-116	71	6	fact	fact	NOUN
ajfsoa-116	71	7	that	that	SCONJ
ajfsoa-116	71	8	lbp	lbp	PROPN
ajfsoa-116	71	9	conformation	conformation	NOUN
ajfsoa-116	71	10	is	be	AUX
ajfsoa-116	71	11	essentially	essentially	ADV
ajfsoa-116	71	12	ligand	ligand	AUX
ajfsoa-116	71	13	driven	drive	VERB
ajfsoa-116	71	14	.	.	PUNCT
ajfsoa-116	72	1	the	the	DET
ajfsoa-116	72	2	fact	fact	NOUN
ajfsoa-116	72	3	that	that	SCONJ
ajfsoa-116	72	4	for	for	ADP
ajfsoa-116	72	5	example	example	NOUN
ajfsoa-116	72	6	,	,	PUNCT
ajfsoa-116	72	7	ursolic	ursolic	ADJ
ajfsoa-116	72	8	acid	acid	NOUN
ajfsoa-116	72	9	had	have	AUX
ajfsoa-116	72	10	a	a	DET
ajfsoa-116	72	11	lba	lba	NOUN
ajfsoa-116	72	12	which	which	PRON
ajfsoa-116	72	13	was	be	AUX
ajfsoa-116	72	14	highest	high	ADJ
ajfsoa-116	72	15	when	when	SCONJ
ajfsoa-116	72	16	captopril	captopril	PROPN
ajfsoa-116	72	17	was	be	AUX
ajfsoa-116	72	18	used	use	VERB
ajfsoa-116	72	19	as	as	ADP
ajfsoa-116	72	20	a	a	DET
ajfsoa-116	72	21	template	template	NOUN
ajfsoa-116	72	22	may	may	AUX
ajfsoa-116	72	23	be	be	AUX
ajfsoa-116	72	24	taken	take	VERB
ajfsoa-116	72	25	to	to	PART
ajfsoa-116	72	26	imply	imply	VERB
ajfsoa-116	72	27	that	that	DET
ajfsoa-116	72	28	ursolic	ursolic	ADJ
ajfsoa-116	72	29	acid	acid	NOUN
ajfsoa-116	72	30	adopts	adopt	VERB
ajfsoa-116	72	31	a	a	DET
ajfsoa-116	72	32	captopril	captopril	NOUN
ajfsoa-116	72	33	-	-	PUNCT
ajfsoa-116	72	34	like	like	ADJ
ajfsoa-116	72	35	conformation	conformation	NOUN
ajfsoa-116	72	36	within	within	ADP
ajfsoa-116	72	37	the	the	DET
ajfsoa-116	72	38	ace	ace	NOUN
ajfsoa-116	72	39	-	-	PUNCT
ajfsoa-116	72	40	lbp	lbp	NOUN
ajfsoa-116	72	41	.	.	PUNCT
ajfsoa-116	73	1	a	a	DET
ajfsoa-116	73	2	similar	similar	ADJ
ajfsoa-116	73	3	conclusion	conclusion	NOUN
ajfsoa-116	73	4	may	may	AUX
ajfsoa-116	73	5	be	be	AUX
ajfsoa-116	73	6	drawn	draw	VERB
ajfsoa-116	73	7	for	for	ADP
ajfsoa-116	73	8	oleanolic	oleanolic	NOUN
ajfsoa-116	73	9	acid	acid	NOUN
ajfsoa-116	73	10	whose	whose	DET
ajfsoa-116	73	11	best	good	ADJ
ajfsoa-116	73	12	lba	lba	NOUN
ajfsoa-116	73	13	was	be	AUX
ajfsoa-116	73	14	observed	observe	VERB
ajfsoa-116	73	15	when	when	SCONJ
ajfsoa-116	73	16	its	its	PRON
ajfsoa-116	73	17	conformation	conformation	NOUN
ajfsoa-116	73	18	within	within	ADP
ajfsoa-116	73	19	the	the	DET
ajfsoa-116	73	20	ace	ace	NOUN
ajfsoa-116	73	21	-	-	PUNCT
ajfsoa-116	73	22	lbp	lbp	PROPN
ajfsoa-116	73	23	was	be	AUX
ajfsoa-116	73	24	modelled	model	VERB
ajfsoa-116	73	25	on	on	ADP
ajfsoa-116	73	26	that	that	PRON
ajfsoa-116	73	27	of	of	ADP
ajfsoa-116	73	28	enalaprilat	enalaprilat	PROPN
ajfsoa-116	73	29	.	.	PUNCT
ajfsoa-116	74	1	it	it	PRON
ajfsoa-116	74	2	was	be	AUX
ajfsoa-116	74	3	also	also	ADV
ajfsoa-116	74	4	interesting	interesting	ADJ
ajfsoa-116	74	5	to	to	PART
ajfsoa-116	74	6	note	note	VERB
ajfsoa-116	74	7	that	that	SCONJ
ajfsoa-116	74	8	in	in	ADP
ajfsoa-116	74	9	the	the	DET
ajfsoa-116	74	10	case	case	NOUN
ajfsoa-116	74	11	of	of	ADP
ajfsoa-116	74	12	β	β	NOUN
ajfsoa-116	74	13	-	-	NOUN
ajfsoa-116	74	14	amyrin	amyrin	ADJ
ajfsoa-116	74	15	,	,	PUNCT
ajfsoa-116	74	16	the	the	PRON
ajfsoa-116	74	17	in	in	ADP
ajfsoa-116	74	18	silico	silico	NOUN
ajfsoa-116	74	19	calculated	calculate	VERB
ajfsoa-116	74	20	lba	lba	NOUN
ajfsoa-116	74	21	for	for	ADP
ajfsoa-116	74	22	its	its	PRON
ajfsoa-116	74	23	optimally	optimally	ADV
ajfsoa-116	74	24	binding	bind	VERB
ajfsoa-116	74	25	conformation	conformation	NOUN
ajfsoa-116	74	26	remained	remain	VERB
ajfsoa-116	74	27	constant	constant	ADJ
ajfsoa-116	74	28	irrespective	irrespective	ADV
ajfsoa-116	74	29	of	of	ADP
ajfsoa-116	74	30	which	which	PRON
ajfsoa-116	74	31	ace	ace	VERB
ajfsoa-116	74	32	inhibitor	inhibitor	NOUN
ajfsoa-116	74	33	it	it	PRON
ajfsoa-116	74	34	was	be	AUX
ajfsoa-116	74	35	modelled	model	VERB
ajfsoa-116	74	36	on	on	ADP
ajfsoa-116	74	37	.	.	PUNCT
ajfsoa-116	75	1	this	this	DET
ajfsoa-116	75	2	conformation	conformation	NOUN
ajfsoa-116	75	3	of	of	ADP
ajfsoa-116	75	4	β	β	NOUN
ajfsoa-116	75	5	-	-	NOUN
ajfsoa-116	75	6	amyrin	amyrin	NOUN
ajfsoa-116	75	7	is	be	AUX
ajfsoa-116	75	8	consequently	consequently	ADV
ajfsoa-116	75	9	very	very	ADV
ajfsoa-116	75	10	interesting	interesting	ADJ
ajfsoa-116	75	11	from	from	ADP
ajfsoa-116	75	12	a	a	DET
ajfsoa-116	75	13	rational	rational	ADJ
ajfsoa-116	75	14	drug	drug	NOUN
ajfsoa-116	75	15	design	design	NOUN
ajfsoa-116	75	16	point	point	NOUN
ajfsoa-116	75	17	of	of	ADP
ajfsoa-116	75	18	view	view	NOUN
ajfsoa-116	75	19	.	.	PUNCT
ajfsoa-116	76	1	the	the	DET
ajfsoa-116	76	2	results	result	NOUN
ajfsoa-116	76	3	obtained	obtain	VERB
ajfsoa-116	76	4	from	from	ADP
ajfsoa-116	76	5	this	this	DET
ajfsoa-116	76	6	study	study	NOUN
ajfsoa-116	76	7	consequently	consequently	ADV
ajfsoa-116	76	8	open	open	VERB
ajfsoa-116	76	9	new	new	ADJ
ajfsoa-116	76	10	avenues	avenue	NOUN
ajfsoa-116	76	11	for	for	ADP
ajfsoa-116	76	12	the	the	DET
ajfsoa-116	76	13	rational	rational	ADJ
ajfsoa-116	76	14	design	design	NOUN
ajfsoa-116	76	15	of	of	ADP
ajfsoa-116	76	16	ace	ace	ADJ
ajfsoa-116	76	17	inhibitors	inhibitor	NOUN
ajfsoa-116	76	18	based	base	VERB
ajfsoa-116	76	19	on	on	ADP
ajfsoa-116	76	20	the	the	DET
ajfsoa-116	76	21	triterpenic	triterpenic	ADJ
ajfsoa-116	76	22	scaffold	scaffold	NOUN
ajfsoa-116	76	23	.	.	PUNCT
ajfsoa-116	77	1	a	a	DET
ajfsoa-116	77	2	molecular	molecular	ADJ
ajfsoa-116	77	3	dynamics	dynamic	NOUN
ajfsoa-116	77	4	simulation	simulation	NOUN
ajfsoa-116	77	5	through	through	ADP
ajfsoa-116	77	6	which	which	PRON
ajfsoa-116	77	7	the	the	DET
ajfsoa-116	77	8	dynamic	dynamic	ADJ
ajfsoa-116	77	9	interactions	interaction	NOUN
ajfsoa-116	77	10	between	between	ADP
ajfsoa-116	77	11	the	the	DET
ajfsoa-116	77	12	ace	ace	NOUN
ajfsoa-116	77	13	and	and	CCONJ
ajfsoa-116	77	14	the	the	DET
ajfsoa-116	77	15	ace	ace	NOUN
ajfsoa-116	77	16	inhibitors	inhibitor	NOUN
ajfsoa-116	77	17	captopril	captopril	NOUN
ajfsoa-116	77	18	,	,	PUNCT
ajfsoa-116	77	19	enalaprilat	enalaprilat	ADJ
ajfsoa-116	77	20	and	and	CCONJ
ajfsoa-116	77	21	lisinopril	lisinopril	NOUN
ajfsoa-116	77	22	may	may	AUX
ajfsoa-116	77	23	be	be	AUX
ajfsoa-116	77	24	compared	compare	VERB
ajfsoa-116	77	25	with	with	ADP
ajfsoa-116	77	26	those	those	PRON
ajfsoa-116	77	27	between	between	ADP
ajfsoa-116	77	28	the	the	DET
ajfsoa-116	77	29	ace	ace	NOUN
ajfsoa-116	77	30	and	and	CCONJ
ajfsoa-116	77	31	the	the	DET
ajfsoa-116	77	32	triterpenic	triterpenic	ADJ
ajfsoa-116	77	33	molecules	molecule	NOUN
ajfsoa-116	77	34	β	β	NOUN
ajfsoa-116	77	35	-	-	NOUN
ajfsoa-116	77	36	amyrin	amyrin	ADJ
ajfsoa-116	77	37	,	,	PUNCT
ajfsoa-116	77	38	oleanolic	oleanolic	NOUN
ajfsoa-116	77	39	acid	acid	NOUN
ajfsoa-116	77	40	and	and	CCONJ
ajfsoa-116	77	41	ursolic	ursolic	ADJ
ajfsoa-116	77	42	acid	acid	NOUN
ajfsoa-116	77	43	represents	represent	VERB
ajfsoa-116	77	44	the	the	DET
ajfsoa-116	77	45	next	next	ADJ
ajfsoa-116	77	46	step	step	NOUN
ajfsoa-116	77	47	in	in	ADP
ajfsoa-116	77	48	this	this	DET
ajfsoa-116	77	49	direction	direction	NOUN
ajfsoa-116	77	50	.	.	PUNCT
ajfsoa-116	78	1	references	reference	NOUN
ajfsoa-116	78	2	attard	attard	PROPN
ajfsoa-116	78	3	e	e	PROPN
ajfsoa-116	78	4	,	,	PUNCT
ajfsoa-116	78	5	attard	attard	PROPN
ajfsoa-116	78	6	h	h	PROPN
ajfsoa-116	78	7	(	(	PUNCT
ajfsoa-116	78	8	2006	2006	NUM
ajfsoa-116	78	9	)	)	PUNCT
ajfsoa-116	78	10	.	.	PUNCT
ajfsoa-116	79	1	the	the	DET
ajfsoa-116	79	2	potential	potential	ADJ
ajfsoa-116	79	3	angiotensin	angiotensin	NOUN
ajfsoa-116	79	4	-	-	PUNCT
ajfsoa-116	79	5	converting	convert	VERB
ajfsoa-116	79	6	enzyme	enzyme	NOUN
ajfsoa-116	79	7	inhibitory	inhibitory	ADJ
ajfsoa-116	79	8	activity	activity	NOUN
ajfsoa-116	79	9	of	of	ADP
ajfsoa-116	79	10	oleanolic	oleanolic	NOUN
ajfsoa-116	79	11	acid	acid	NOUN
ajfsoa-116	79	12	in	in	ADP
ajfsoa-116	79	13	the	the	DET
ajfsoa-116	79	14	hydroethanolic	hydroethanolic	ADJ
ajfsoa-116	79	15	extract	extract	NOUN
ajfsoa-116	79	16	of	of	ADP
ajfsoa-116	79	17	crataegus	crataegus	NOUN
ajfsoa-116	79	18	monogyna	monogyna	NOUN
ajfsoa-116	79	19	jacq	jacq	PROPN
ajfsoa-116	79	20	.	.	PUNCT
ajfsoa-116	80	1	nat	nat	PROPN
ajfsoa-116	80	2	.	.	PUNCT
ajfsoa-116	81	1	prod	prod	PROPN
ajfsoa-116	81	2	.	.	PUNCT
ajfsoa-116	82	1	comm	comm	NOUN
ajfsoa-116	82	2	.	.	PUNCT
ajfsoa-116	83	1	1(5):381386	1(5):381386	NUM
ajfsoa-116	83	2	.	.	PUNCT
ajfsoa-116	83	3	bernstein	bernstein	PROPN
ajfsoa-116	83	4	fc	fc	PROPN
ajfsoa-116	83	5	,	,	PUNCT
ajfsoa-116	83	6	koetzle	koetzle	PROPN
ajfsoa-116	83	7	tf	tf	PROPN
ajfsoa-116	83	8	,	,	PUNCT
ajfsoa-116	83	9	williams	williams	PROPN
ajfsoa-116	83	10	gj	gj	PROPN
ajfsoa-116	83	11	,	,	PUNCT
ajfsoa-116	83	12	meyer	meyer	PROPN
ajfsoa-116	83	13	jr	jr	PROPN
ajfsoa-116	83	14	.	.	PROPN
ajfsoa-116	83	15	ee	ee	PROPN
ajfsoa-116	83	16	,	,	PUNCT
ajfsoa-116	83	17	brice	brice	PROPN
ajfsoa-116	83	18	jf	jf	PROPN
ajfsoa-116	83	19	,	,	PUNCT
ajfsoa-116	83	20	rodgers	rodger	VERB
ajfsoa-116	83	21	jr	jr	PROPN
ajfsoa-116	83	22	,	,	PUNCT
ajfsoa-116	83	23	kennard	kennard	PROPN
ajfsoa-116	83	24	o	o	PROPN
ajfsoa-116	83	25	,	,	PUNCT
ajfsoa-116	83	26	shimanouchi	shimanouchi	PROPN
ajfsoa-116	83	27	t	t	PROPN
ajfsoa-116	83	28	,	,	PUNCT
ajfsoa-116	83	29	tasumi	tasumi	PROPN
ajfsoa-116	83	30	m	m	PROPN
ajfsoa-116	83	31	(	(	PUNCT
ajfsoa-116	83	32	1977	1977	NUM
ajfsoa-116	83	33	)	)	PUNCT
ajfsoa-116	83	34	.	.	PUNCT
ajfsoa-116	84	1	the	the	DET
ajfsoa-116	84	2	protein	protein	NOUN
ajfsoa-116	84	3	data	data	PROPN
ajfsoa-116	84	4	bank	bank	NOUN
ajfsoa-116	84	5	:	:	PUNCT
ajfsoa-116	84	6	a	a	DET
ajfsoa-116	84	7	computer	computer	NOUN
ajfsoa-116	84	8	-	-	PUNCT
ajfsoa-116	84	9	based	base	VERB
ajfsoa-116	84	10	archival	archival	NOUN
ajfsoa-116	84	11	file	file	NOUN
ajfsoa-116	84	12	for	for	ADP
ajfsoa-116	84	13	macromolecular	macromolecular	NOUN
ajfsoa-116	84	14	structures	structure	NOUN
ajfsoa-116	84	15	.	.	PUNCT
ajfsoa-116	85	1	j.	j.	PROPN
ajfsoa-116	85	2	mol	mol	PROPN
ajfsoa-116	85	3	.	.	PUNCT
ajfsoa-116	86	1	biol	biol	PROPN
ajfsoa-116	86	2	.	.	PUNCT
ajfsoa-116	87	1	112(3):535	112(3):535	NUM
ajfsoa-116	87	2	-	-	SYM
ajfsoa-116	87	3	42	42	NUM
ajfsoa-116	87	4	.	.	PUNCT
ajfsoa-116	88	1	humphrey	humphrey	PROPN
ajfsoa-116	88	2	w	w	PROPN
ajfsoa-116	88	3	,	,	PUNCT
ajfsoa-116	88	4	dalke	dalke	ADV
ajfsoa-116	88	5	a	a	PRON
ajfsoa-116	88	6	,	,	PUNCT
ajfsoa-116	88	7	schulten	schulten	VERB
ajfsoa-116	88	8	k	k	X
ajfsoa-116	88	9	(	(	PUNCT
ajfsoa-116	88	10	1996	1996	NUM
ajfsoa-116	88	11	)	)	PUNCT
ajfsoa-116	88	12	.	.	PUNCT
ajfsoa-116	89	1	vmd	vmd	PROPN
ajfsoa-116	89	2	visual	visual	PROPN
ajfsoa-116	89	3	molecular	molecular	ADJ
ajfsoa-116	89	4	dynamics	dynamic	NOUN
ajfsoa-116	89	5	.	.	PUNCT
ajfsoa-116	90	1	j.	j.	PROPN
ajfsoa-116	90	2	mol	mol	PROPN
ajfsoa-116	90	3	.	.	PROPN
ajfsoa-116	90	4	graph	graph	NOUN
ajfsoa-116	90	5	.	.	PUNCT
ajfsoa-116	91	1	14(1):33	14(1):33	NUM
ajfsoa-116	91	2	-	-	SYM
ajfsoa-116	91	3	8	8	NUM
ajfsoa-116	91	4	,	,	PUNCT
ajfsoa-116	91	5	27	27	NUM
ajfsoa-116	91	6	-	-	SYM
ajfsoa-116	91	7	8	8	NUM
ajfsoa-116	91	8	.	.	PUNCT
ajfsoa-116	92	1	kapetanovic	kapetanovic	PROPN
ajfsoa-116	92	2	i	i	PRON
ajfsoa-116	92	3	m	m	PROPN
ajfsoa-116	92	4	(	(	PUNCT
ajfsoa-116	92	5	2008	2008	NUM
ajfsoa-116	92	6	)	)	PUNCT
ajfsoa-116	92	7	.	.	PUNCT
ajfsoa-116	93	1	computer	computer	NOUN
ajfsoa-116	93	2	-	-	PUNCT
ajfsoa-116	93	3	aided	aid	VERB
ajfsoa-116	93	4	drug	drug	NOUN
ajfsoa-116	93	5	discovery	discovery	NOUN
ajfsoa-116	93	6	and	and	CCONJ
ajfsoa-116	93	7	development	development	NOUN
ajfsoa-116	93	8	(	(	PUNCT
ajfsoa-116	93	9	caddd	caddd	PROPN
ajfsoa-116	93	10	):	):	PUNCT
ajfsoa-116	93	11	in	in	ADP
ajfsoa-116	93	12	silico	silico	NOUN
ajfsoa-116	93	13	-	-	PUNCT
ajfsoa-116	93	14	chemico	chemico	NOUN
ajfsoa-116	93	15	-	-	ADJ
ajfsoa-116	93	16	biological	biological	ADJ
ajfsoa-116	93	17	approach	approach	NOUN
ajfsoa-116	93	18	.	.	PUNCT
ajfsoa-116	94	1	chem	chem	NOUN
ajfsoa-116	94	2	.	.	PUNCT
ajfsoa-116	95	1	biol	biol	PROPN
ajfsoa-116	95	2	.	.	PUNCT
ajfsoa-116	96	1	interact	interact	PROPN
ajfsoa-116	96	2	.	.	PUNCT
ajfsoa-116	97	1	171(2):165	171(2):165	NUM
ajfsoa-116	97	2	-	-	PUNCT
ajfsoa-116	97	3	76	76	NUM
ajfsoa-116	97	4	.	.	PUNCT
ajfsoa-116	98	1	natesh	natesh	PROPN
ajfsoa-116	98	2	r	r	PROPN
ajfsoa-116	98	3	,	,	PUNCT
ajfsoa-116	98	4	schwager	schwager	PROPN
ajfsoa-116	98	5	slu	slu	PROPN
ajfsoa-116	98	6	,	,	PUNCT
ajfsoa-116	98	7	evans	evans	PROPN
ajfsoa-116	98	8	hr	hr	PROPN
ajfsoa-116	98	9	,	,	PUNCT
ajfsoa-116	98	10	sturrock	sturrock	NOUN
ajfsoa-116	98	11	ed	ed	PROPN
ajfsoa-116	98	12	,	,	PUNCT
ajfsoa-116	98	13	acharya	acharya	PROPN
ajfsoa-116	98	14	kr	kr	PROPN
ajfsoa-116	98	15	(	(	PUNCT
ajfsoa-116	98	16	2004	2004	NUM
ajfsoa-116	98	17	)	)	PUNCT
ajfsoa-116	98	18	.	.	PUNCT
ajfsoa-116	99	1	structural	structural	ADJ
ajfsoa-116	99	2	details	detail	NOUN
ajfsoa-116	99	3	on	on	ADP
ajfsoa-116	99	4	the	the	DET
ajfsoa-116	99	5	binding	binding	NOUN
ajfsoa-116	99	6	of	of	ADP
ajfsoa-116	99	7	antihypertensive	antihypertensive	ADJ
ajfsoa-116	99	8	drugs	drug	NOUN
ajfsoa-116	99	9	captopril	captopril	NOUN
ajfsoa-116	99	10	and	and	CCONJ
ajfsoa-116	99	11	enalaprilat	enalaprilat	NOUN
ajfsoa-116	99	12	to	to	ADP
ajfsoa-116	99	13	human	human	ADJ
ajfsoa-116	99	14	testicular	testicular	ADJ
ajfsoa-116	99	15	angiotensin	angiotensin	NOUN
ajfsoa-116	99	16	i	i	PRON
ajfsoa-116	99	17	-	-	PUNCT
ajfsoa-116	99	18	converting	convert	VERB
ajfsoa-116	99	19	enzyme	enzyme	NOUN
ajfsoa-116	99	20	.	.	PUNCT
ajfsoa-116	100	1	biochemistry	biochemistry	NOUN
ajfsoa-116	100	2	43:8718	43:8718	PROPN
ajfsoa-116	100	3	-	-	SYM
ajfsoa-116	100	4	8724	8724	NUM
ajfsoa-116	100	5	.	.	PUNCT
ajfsoa-116	101	1	natesh	natesh	PROPN
ajfsoa-116	101	2	r	r	PROPN
ajfsoa-116	101	3	,	,	PUNCT
ajfsoa-116	101	4	schwager	schwager	PROPN
ajfsoa-116	101	5	slu	slu	PROPN
ajfsoa-116	101	6	,	,	PUNCT
ajfsoa-116	101	7	sturrock	sturrock	NOUN
ajfsoa-116	101	8	ed	ed	PROPN
ajfsoa-116	101	9	,	,	PUNCT
ajfsoa-116	101	10	acharya	acharya	PROPN
ajfsoa-116	101	11	kr	kr	PROPN
ajfsoa-116	101	12	(	(	PUNCT
ajfsoa-116	101	13	2003	2003	NUM
ajfsoa-116	101	14	)	)	PUNCT
ajfsoa-116	101	15	.	.	PUNCT
ajfsoa-116	102	1	crystal	crystal	NOUN
ajfsoa-116	102	2	structure	structure	NOUN
ajfsoa-116	102	3	of	of	ADP
ajfsoa-116	102	4	the	the	DET
ajfsoa-116	102	5	human	human	ADJ
ajfsoa-116	102	6	angiotensin	angiotensin	NOUN
ajfsoa-116	102	7	converting	convert	VERB
ajfsoa-116	102	8	enzyme	enzyme	NOUN
ajfsoa-116	102	9	-	-	PUNCT
ajfsoa-116	102	10	lisinopril	lisinopril	NOUN
ajfsoa-116	102	11	complex	complex	NOUN
ajfsoa-116	102	12	.	.	PUNCT
ajfsoa-116	103	1	nature	nature	NOUN
ajfsoa-116	103	2	421(6922):551	421(6922):551	NUM
ajfsoa-116	103	3	-	-	SYM
ajfsoa-116	103	4	4	4	NUM
ajfsoa-116	103	5	sweileh	sweileh	NOUN
ajfsoa-116	103	6	wm	wm	PROPN
ajfsoa-116	103	7	,	,	PUNCT
ajfsoa-116	103	8	sawalha	sawalha	NOUN
ajfsoa-116	103	9	af	af	PROPN
ajfsoa-116	103	10	,	,	PUNCT
ajfsoa-116	103	11	zyoud	zyoud	PROPN
ajfsoa-116	103	12	sh	sh	PROPN
ajfsoa-116	103	13	,	,	PUNCT
ajfsoa-116	103	14	al	al	PROPN
ajfsoa-116	103	15	-	-	PUNCT
ajfsoa-116	103	16	jabil	jabil	PROPN
ajfsoa-116	103	17	sw	sw	PROPN
ajfsoa-116	103	18	,	,	PUNCT
ajfsoa-116	103	19	tameem	tameem	PROPN
ajfsoa-116	103	20	ej	ej	PROPN
ajfsoa-116	103	21	,	,	PUNCT
ajfsoa-116	103	22	shraim	shraim	PROPN
ajfsoa-116	103	23	ny	ny	PROPN
ajfsoa-116	103	24	(	(	PUNCT
ajfsoa-116	103	25	2009	2009	NUM
ajfsoa-116	103	26	)	)	PUNCT
ajfsoa-116	103	27	.	.	PUNCT
ajfsoa-116	104	1	evaluation	evaluation	NOUN
ajfsoa-116	104	2	of	of	ADP
ajfsoa-116	104	3	antihypertensive	antihypertensive	ADJ
ajfsoa-116	104	4	therapy	therapy	NOUN
ajfsoa-116	104	5	in	in	ADP
ajfsoa-116	104	6	diabetic	diabetic	ADJ
ajfsoa-116	104	7	hypertensive	hypertensive	ADJ
ajfsoa-116	104	8	patients	patient	NOUN
ajfsoa-116	104	9	:	:	PUNCT
ajfsoa-116	104	10	impact	impact	NOUN
ajfsoa-116	104	11	of	of	ADP
ajfsoa-116	104	12	ischemic	ischemic	ADJ
ajfsoa-116	104	13	heart	heart	NOUN
ajfsoa-116	104	14	disease	disease	NOUN
ajfsoa-116	104	15	.	.	PUNCT
ajfsoa-116	105	1	j.	j.	PROPN
ajfsoa-116	105	2	pharm	pharm	PROPN
ajfsoa-116	105	3	.	.	PUNCT
ajfsoa-116	106	1	pract	pract	PROPN
ajfsoa-116	106	2	.	.	PUNCT
ajfsoa-116	107	1	7(1):40	7(1):40	NUM
ajfsoa-116	107	2	-	-	SYM
ajfsoa-116	107	3	46	46	NUM
ajfsoa-116	107	4	.	.	PUNCT
ajfsoa-116	108	1	wang	wang	PROPN
ajfsoa-116	108	2	r	r	PROPN
ajfsoa-116	108	3	,	,	PUNCT
ajfsoa-116	108	4	gao	gao	PROPN
ajfsoa-116	108	5	y	y	PROPN
ajfsoa-116	108	6	,	,	PUNCT
ajfsoa-116	108	7	lai	lai	PROPN
ajfsoa-116	108	8	l	l	PROPN
ajfsoa-116	108	9	(	(	PUNCT
ajfsoa-116	108	10	2000	2000	NUM
ajfsoa-116	108	11	)	)	PUNCT
ajfsoa-116	108	12	.	.	PUNCT
ajfsoa-116	109	1	ligbuilder	ligbuilder	NOUN
ajfsoa-116	109	2	:	:	PUNCT
ajfsoa-116	109	3	a	a	DET
ajfsoa-116	109	4	multi	multi	ADJ
ajfsoa-116	109	5	-	-	ADJ
ajfsoa-116	109	6	purpose	purpose	ADJ
ajfsoa-116	109	7	program	program	NOUN
ajfsoa-116	109	8	for	for	ADP
ajfsoa-116	109	9	structure	structure	NOUN
ajfsoa-116	109	10	-	-	PUNCT
ajfsoa-116	109	11	based	base	VERB
ajfsoa-116	109	12	drug	drug	NOUN
ajfsoa-116	109	13	design	design	NOUN
ajfsoa-116	109	14	.	.	PUNCT
ajfsoa-116	110	1	j.	j.	PROPN
ajfsoa-116	110	2	mol	mol	PROPN
ajfsoa-116	110	3	.	.	PROPN
ajfsoa-116	110	4	model	model	PROPN
ajfsoa-116	110	5	.	.	PUNCT
ajfsoa-116	111	1	6(7	6(7	NUM
ajfsoa-116	111	2	-	-	PUNCT
ajfsoa-116	111	3	8):498	8):498	NUM
ajfsoa-116	111	4	-	-	PUNCT
ajfsoa-116	111	5	516	516	NUM
ajfsoa-116	111	6	.	.	PUNCT
ajfsoa-116	112	1	wang	wang	PROPN
ajfsoa-116	112	2	r	r	PROPN
ajfsoa-116	112	3	,	,	PUNCT
ajfsoa-116	112	4	liu	liu	PROPN
ajfsoa-116	112	5	l	l	PROPN
ajfsoa-116	112	6	,	,	PUNCT
ajfsoa-116	112	7	lai	lai	PROPN
ajfsoa-116	112	8	l	l	PROPN
ajfsoa-116	112	9	,	,	PUNCT
ajfsoa-116	112	10	tang	tang	PROPN
ajfsoa-116	112	11	y	y	PROPN
ajfsoa-116	112	12	(	(	PUNCT
ajfsoa-116	112	13	1998	1998	NUM
ajfsoa-116	112	14	)	)	PUNCT
ajfsoa-116	112	15	.	.	PUNCT
ajfsoa-116	113	1	score	score	NOUN
ajfsoa-116	113	2	:	:	PUNCT
ajfsoa-116	113	3	a	a	DET
ajfsoa-116	113	4	new	new	ADJ
ajfsoa-116	113	5	empirical	empirical	ADJ
ajfsoa-116	113	6	method	method	NOUN
ajfsoa-116	113	7	for	for	ADP
ajfsoa-116	113	8	estimating	estimate	VERB
ajfsoa-116	113	9	the	the	DET
ajfsoa-116	113	10	binding	bind	VERB
ajfsoa-116	113	11	affinity	affinity	NOUN
ajfsoa-116	113	12	of	of	ADP
ajfsoa-116	113	13	a	a	DET
ajfsoa-116	113	14	protein	protein	NOUN
ajfsoa-116	113	15	-	-	PUNCT
ajfsoa-116	113	16	ligand	ligand	NOUN
ajfsoa-116	113	17	complex	complex	NOUN
ajfsoa-116	113	18	.	.	PUNCT
ajfsoa-116	114	1	j.	j.	PROPN
ajfsoa-116	114	2	mol	mol	PROPN
ajfsoa-116	114	3	.	.	PROPN
ajfsoa-116	114	4	model	model	PROPN
ajfsoa-116	114	5	.	.	PUNCT
ajfsoa-116	115	1	4:379	4:379	NUM
ajfsoa-116	115	2	-	-	PUNCT
ajfsoa-116	115	3	394	394	NUM
ajfsoa-116	115	4	.	.	PUNCT
ajfsoa-116	116	1	who	who	PRON
ajfsoa-116	116	2	(	(	PUNCT
ajfsoa-116	116	3	2012	2012	NUM
ajfsoa-116	116	4	)	)	PUNCT
ajfsoa-116	116	5	.	.	PUNCT
ajfsoa-116	117	1	world	world	PROPN
ajfsoa-116	117	2	health	health	PROPN
ajfsoa-116	117	3	statistics	statistic	NOUN
ajfsoa-116	117	4	2012	2012	NUM
ajfsoa-116	117	5	.	.	PUNCT
ajfsoa-116	118	1	1	1	X
ajfsoa-116	118	2	.	.	X
ajfsoa-116	118	3	health	health	NOUN
ajfsoa-116	118	4	status	status	NOUN
ajfsoa-116	118	5	indicators	indicator	NOUN
ajfsoa-116	118	6	.	.	PUNCT
ajfsoa-116	119	1	2	2	X
ajfsoa-116	119	2	.	.	X
ajfsoa-116	119	3	world	world	NOUN
ajfsoa-116	119	4	health	health	NOUN
ajfsoa-116	119	5	.	.	PUNCT
ajfsoa-116	120	1	3	3	X
ajfsoa-116	120	2	.	.	X
ajfsoa-116	120	3	health	health	NOUN
ajfsoa-116	120	4	services	service	NOUN
ajfsoa-116	120	5	statistics	statistic	NOUN
ajfsoa-116	120	6	.	.	PUNCT
ajfsoa-116	121	1	4	4	X
ajfsoa-116	121	2	.	.	X
ajfsoa-116	121	3	mortality	mortality	NOUN
ajfsoa-116	121	4	.	.	PUNCT
ajfsoa-116	122	1	5	5	NUM
ajfsoa-116	122	2	.	.	X
ajfsoa-116	122	3	morbidity	morbidity	NOUN
ajfsoa-116	122	4	.	.	PUNCT
ajfsoa-116	123	1	6.life	6.life	NUM
ajfsoa-116	123	2	expectancy	expectancy	NOUN
ajfsoa-116	123	3	.	.	PUNCT
ajfsoa-116	124	1	7	7	X
ajfsoa-116	124	2	.	.	X
ajfsoa-116	124	3	demography	demography	NOUN
ajfsoa-116	124	4	.	.	PUNCT
ajfsoa-116	125	1	8	8	X
ajfsoa-116	125	2	.	.	X
ajfsoa-116	125	3	millennium	millennium	NOUN
ajfsoa-116	125	4	development	development	NOUN
ajfsoa-116	125	5	goals	goal	NOUN
ajfsoa-116	125	6	–	–	PUNCT
ajfsoa-116	125	7	statistics	statistic	NOUN
ajfsoa-116	125	8	.	.	PUNCT
ajfsoa-116	126	1	9	9	X
ajfsoa-116	126	2	.	.	X
ajfsoa-116	126	3	statistics	statistic	NOUN
ajfsoa-116	126	4	.	.	PUNCT
ajfsoa-116	127	1	world	world	PROPN
ajfsoa-116	127	2	health	health	PROPN
ajfsoa-116	127	3	organization	organization	PROPN
ajfsoa-116	127	4	.	.	PUNCT
ajfsoa-116	128	1	(	(	PUNCT
ajfsoa-116	128	2	http://www.who.int/gho/publications/world_health_statistics/en_wh	http://www.who.int/gho/publications/world_health_statistics/en_wh	ADV
ajfsoa-116	128	3	s2012_full.pdf	s2012_full.pdf	NOUN
ajfsoa-116	128	4	)	)	PUNCT
ajfsoa-116	128	5	.	.	PUNCT