id	sid	tid	token	lemma	pos
admet-28	1	1	manuscript	manuscript	PROPN
admet-28	1	2	doi	doi	PROPN
admet-28	1	3	:	:	PUNCT
admet-28	1	4	10.5599	10.5599	NUM
admet-28	1	5	/	/	SYM
admet-28	1	6	admet.2.2.28	admet.2.2.28	PROPN
admet-28	1	7	126	126	NUM
admet-28	1	8	admet	admet	PROPN
admet-28	1	9	&	&	CCONJ
admet-28	1	10	dmpk	dmpk	PROPN
admet-28	1	11	2(2	2(2	NUM
admet-28	1	12	)	)	PUNCT
admet-28	1	13	(	(	PUNCT
admet-28	1	14	2014	2014	NUM
admet-28	1	15	)	)	PUNCT
admet-28	1	16	126	126	NUM
admet-28	1	17	-	-	SYM
admet-28	1	18	142	142	NUM
admet-28	1	19	;	;	PUNCT
admet-28	1	20	doi	doi	NOUN
admet-28	1	21	:	:	PUNCT
admet-28	1	22	10.5599	10.5599	NUM
admet-28	1	23	/	/	SYM
admet-28	1	24	admet.2.2.28	admet.2.2.28	NOUN
admet-28	1	25	open	open	ADJ
admet-28	1	26	access	access	NOUN
admet-28	1	27	:	:	PUNCT
admet-28	1	28	issn	issn	PROPN
admet-28	1	29	:	:	PUNCT
admet-28	1	30	1848	1848	NUM
admet-28	1	31	-	-	SYM
admet-28	1	32	7718	7718	NUM
admet-28	1	33	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-28	1	34	original	original	ADJ
admet-28	1	35	scientific	scientific	ADJ
admet-28	1	36	paper	paper	NOUN
admet-28	1	37	human	human	ADJ
admet-28	1	38	serum	serum	NOUN
admet-28	1	39	albumin	albumin	PROPN
admet-28	1	40	binding	binding	NOUN
admet-28	1	41	of	of	ADP
admet-28	1	42	2-[(carboxymethyl)sulfanyl]4	2-[(carboxymethyl)sulfanyl]4	NUM
admet-28	1	43	-	-	PUNCT
admet-28	1	44	oxo-4-(4	oxo-4-(4	NOUN
admet-28	1	45	-	-	PUNCT
admet-28	1	46	tert	tert	NOUN
admet-28	1	47	-	-	PUNCT
admet-28	1	48	butylphenyl)butanoic	butylphenyl)butanoic	NOUN
admet-28	1	49	acid	acid	NOUN
admet-28	1	50	and	and	CCONJ
admet-28	1	51	its	its	PRON
admet-28	1	52	mono	mono	NOUN
admet-28	1	53	-	-	PUNCT
admet-28	1	54	me	i	PRON
admet-28	1	55	ester	ester	NOUN
admet-28	1	56	ilija	ilija	NOUN
admet-28	1	57	n.	n.	PROPN
admet-28	1	58	cvijetić	cvijetić	PROPN
admet-28	1	59	,	,	PUNCT
admet-28	2	1	dušan	dušan	PROPN
admet-28	2	2	d.	d.	PROPN
admet-28	2	3	petrović,1	petrović,1	PROPN
admet-28	2	4	tatjana	tatjana	PROPN
admet-28	2	5	ž	ž	PROPN
admet-28	2	6	.	.	PROPN
admet-28	2	7	verbić,1	verbić,1	NOUN
admet-28	2	8	,	,	PUNCT
admet-28	2	9	*	*	PUNCT
admet-28	2	10	ivan	ivan	PROPN
admet-28	2	11	o.	o.	PROPN
admet-28	2	12	juranić2	juranić2	PROPN
admet-28	2	13	and	and	CCONJ
admet-28	2	14	branko	branko	PROPN
admet-28	2	15	j.	j.	PROPN
admet-28	2	16	drakulić2	drakulić2	PROPN
admet-28	2	17	innovation	innovation	NOUN
admet-28	2	18	center	center	NOUN
admet-28	2	19	of	of	ADP
admet-28	2	20	the	the	DET
admet-28	2	21	faculty	faculty	NOUN
admet-28	2	22	of	of	ADP
admet-28	2	23	chemistry	chemistry	NOUN
admet-28	2	24	,	,	PUNCT
admet-28	2	25	university	university	PROPN
admet-28	2	26	of	of	ADP
admet-28	2	27	belgrade	belgrade	PROPN
admet-28	2	28	,	,	PUNCT
admet-28	2	29	studentski	studentski	PROPN
admet-28	2	30	trg	trg	PROPN
admet-28	2	31	16	16	NUM
admet-28	2	32	,	,	PUNCT
admet-28	2	33	11000	11000	NUM
admet-28	2	34	belgrade	belgrade	NOUN
admet-28	2	35	,	,	PUNCT
admet-28	2	36	serbia	serbia	PROPN
admet-28	2	37	1	1	NUM
admet-28	2	38	faculty	faculty	NOUN
admet-28	2	39	of	of	ADP
admet-28	2	40	chemistry	chemistry	NOUN
admet-28	2	41	,	,	PUNCT
admet-28	2	42	university	university	PROPN
admet-28	2	43	of	of	ADP
admet-28	2	44	belgrade	belgrade	PROPN
admet-28	2	45	,	,	PUNCT
admet-28	2	46	studentski	studentski	PROPN
admet-28	2	47	trg	trg	PROPN
admet-28	2	48	16	16	NUM
admet-28	2	49	,	,	PUNCT
admet-28	2	50	11000	11000	NUM
admet-28	2	51	belgrade	belgrade	NOUN
admet-28	2	52	,	,	PUNCT
admet-28	2	53	serbia	serbia	PROPN
admet-28	2	54	2	2	NUM
admet-28	2	55	department	department	NOUN
admet-28	2	56	of	of	ADP
admet-28	2	57	chemistry	chemistry	NOUN
admet-28	2	58	-	-	PUNCT
admet-28	2	59	ichtm	ichtm	PROPN
admet-28	2	60	,	,	PUNCT
admet-28	2	61	university	university	PROPN
admet-28	2	62	of	of	ADP
admet-28	2	63	belgrade	belgrade	PROPN
admet-28	2	64	,	,	PUNCT
admet-28	2	65	njegoševa	njegoševa	PROPN
admet-28	2	66	12	12	NUM
admet-28	2	67	,	,	PUNCT
admet-28	2	68	11000	11000	NUM
admet-28	2	69	belgrade	belgrade	NOUN
admet-28	2	70	,	,	PUNCT
admet-28	2	71	serbia	serbia	PROPN
admet-28	2	72	*	*	PUNCT
admet-28	2	73	corresponding	correspond	VERB
admet-28	2	74	author	author	NOUN
admet-28	2	75	:	:	PUNCT
admet-28	2	76	e	e	NOUN
admet-28	2	77	-	-	NOUN
admet-28	2	78	mail	mail	NOUN
admet-28	2	79	:	:	PUNCT
admet-28	2	80	tatjanad@chem.bg.ac.rs	tatjanad@chem.bg.ac.rs	NUM
admet-28	2	81	;	;	PUNCT
admet-28	2	82	tel	tel	PROPN
admet-28	2	83	.	.	PROPN
admet-28	2	84	:	:	PUNCT
admet-28	3	1	+381	+381	NUM
admet-28	3	2	-	-	SYM
admet-28	3	3	11	11	NUM
admet-28	3	4	-	-	PUNCT
admet-28	3	5	3336	3336	NUM
admet-28	3	6	-	-	PUNCT
admet-28	3	7	790	790	NUM
admet-28	3	8	;	;	PUNCT
admet-28	3	9	fax	fax	NOUN
admet-28	3	10	:	:	PUNCT
admet-28	3	11	+381	+381	NUM
admet-28	3	12	-	-	PUNCT
admet-28	3	13	11	11	NUM
admet-28	3	14	-	-	PUNCT
admet-28	3	15	2184	2184	NUM
admet-28	3	16	-	-	SYM
admet-28	3	17	330	330	NUM
admet-28	3	18	received	receive	VERB
admet-28	3	19	:	:	PUNCT
admet-28	3	20	december	december	PROPN
admet-28	3	21	21	21	NUM
admet-28	3	22	,	,	PUNCT
admet-28	3	23	2013	2013	NUM
admet-28	3	24	;	;	PUNCT
admet-28	3	25	revised	revise	VERB
admet-28	3	26	:	:	PUNCT
admet-28	3	27	april	april	PROPN
admet-28	3	28	22	22	NUM
admet-28	3	29	,	,	PUNCT
admet-28	3	30	2014	2014	NUM
admet-28	3	31	;	;	PUNCT
admet-28	3	32	published	publish	VERB
admet-28	3	33	:	:	PUNCT
admet-28	3	34	july	july	PROPN
admet-28	3	35	18	18	NUM
admet-28	3	36	,	,	PUNCT
admet-28	3	37	2014	2014	NUM
admet-28	3	38	abstract	abstract	ADJ
admet-28	3	39	interactions	interaction	NOUN
admet-28	3	40	of	of	ADP
admet-28	3	41	2-[(carboxymethyl)sulfanyl]-4	2-[(carboxymethyl)sulfanyl]-4	NUM
admet-28	3	42	-	-	PUNCT
admet-28	3	43	oxo-4-(4	oxo-4-(4	NOUN
admet-28	3	44	-	-	PUNCT
admet-28	3	45	tert	tert	NOUN
admet-28	3	46	-	-	PUNCT
admet-28	3	47	butylphenyl)butanoic	butylphenyl)butanoic	NOUN
admet-28	3	48	acid	acid	NOUN
admet-28	3	49	(	(	PUNCT
admet-28	3	50	compound	compound	NOUN
admet-28	3	51	1	1	NUM
admet-28	3	52	)	)	PUNCT
admet-28	3	53	and	and	CCONJ
admet-28	3	54	its	its	PRON
admet-28	3	55	mono	mono	NOUN
admet-28	3	56	-	-	PUNCT
admet-28	3	57	me	i	PRON
admet-28	3	58	ester	ester	NOUN
admet-28	3	59	(	(	PUNCT
admet-28	3	60	compound	compound	NOUN
admet-28	3	61	2	2	NUM
admet-28	3	62	)	)	PUNCT
admet-28	3	63	with	with	ADP
admet-28	3	64	the	the	DET
admet-28	3	65	human	human	ADJ
admet-28	3	66	serum	serum	NOUN
admet-28	3	67	albumin	albumin	PROPN
admet-28	3	68	(	(	PUNCT
admet-28	3	69	hsa	hsa	PROPN
admet-28	3	70	)	)	PUNCT
admet-28	3	71	have	have	AUX
admet-28	3	72	been	be	AUX
admet-28	3	73	studied	study	VERB
admet-28	3	74	by	by	ADP
admet-28	3	75	fluorescence	fluorescence	NOUN
admet-28	3	76	spectroscopy	spectroscopy	NOUN
admet-28	3	77	.	.	PUNCT
admet-28	4	1	comp	comp	NOUN
admet-28	4	2	.	.	PUNCT
admet-28	5	1	1	1	NUM
admet-28	5	2	exerts	exert	VERB
admet-28	5	3	antiproliferative	antiproliferative	ADJ
admet-28	5	4	activity	activity	NOUN
admet-28	5	5	toward	toward	ADP
admet-28	5	6	human	human	ADJ
admet-28	5	7	tumor	tumor	NOUN
admet-28	5	8	cells	cell	NOUN
admet-28	5	9	and	and	CCONJ
admet-28	5	10	significant	significant	ADJ
admet-28	5	11	selectivity	selectivity	NOUN
admet-28	5	12	(	(	PUNCT
admet-28	5	13	tumor	tumor	NOUN
admet-28	5	14	vs.	vs.	ADP
admet-28	5	15	healthy	healthy	ADJ
admet-28	5	16	cells	cell	NOUN
admet-28	5	17	)	)	PUNCT
admet-28	5	18	in	in	ADP
admet-28	5	19	vitro	vitro	X
admet-28	5	20	.	.	PUNCT
admet-28	6	1	competitive	competitive	ADJ
admet-28	6	2	binding	binding	ADJ
admet-28	6	3	study	study	NOUN
admet-28	6	4	with	with	ADP
admet-28	6	5	warfarin	warfarin	NOUN
admet-28	6	6	and	and	CCONJ
admet-28	6	7	ibuprofen	ibuprofen	NOUN
admet-28	6	8	as	as	ADP
admet-28	6	9	binding	bind	VERB
admet-28	6	10	site	site	NOUN
admet-28	6	11	probes	probe	NOUN
admet-28	6	12	,	,	PUNCT
admet-28	6	13	revealed	reveal	VERB
admet-28	6	14	that	that	SCONJ
admet-28	6	15	one	one	NUM
admet-28	6	16	molecule	molecule	NOUN
admet-28	6	17	of	of	ADP
admet-28	6	18	comp	comp	NOUN
admet-28	6	19	.	.	PUNCT
admet-28	7	1	1	1	NUM
admet-28	7	2	selectively	selectively	ADV
admet-28	7	3	binds	bind	VERB
admet-28	7	4	to	to	ADP
admet-28	7	5	hsa	hsa	PROPN
admet-28	7	6	sudlow	sudlow	PROPN
admet-28	7	7	site	site	NOUN
admet-28	7	8	i	i	PRON
admet-28	7	9	(	(	PUNCT
admet-28	7	10	warfarin	warfarin	NOUN
admet-28	7	11	site	site	NOUN
admet-28	7	12	)	)	PUNCT
admet-28	7	13	with	with	ADP
admet-28	7	14	moderate	moderate	ADJ
admet-28	7	15	binding	bind	VERB
admet-28	7	16	constant	constant	ADJ
admet-28	7	17	(	(	PUNCT
admet-28	7	18	kb	kb	NOUN
admet-28	7	19	=	=	SYM
admet-28	7	20	(	(	PUNCT
admet-28	7	21	2.8	2.8	NUM
admet-28	7	22	±	±	NUM
admet-28	7	23	0.5	0.5	NUM
admet-28	7	24	)	)	PUNCT
admet-28	7	25			VERB
admet-28	7	26	10	10	NUM
admet-28	7	27	4	4	NUM
admet-28	7	28	m	m	NOUN
admet-28	7	29	-1	-1	NOUN
admet-28	7	30	at	at	ADP
admet-28	7	31	37	37	NUM
admet-28	7	32	±	±	NUM
admet-28	7	33	1	1	NUM
admet-28	7	34	c	c	NUM
admet-28	7	35	)	)	PUNCT
admet-28	7	36	,	,	PUNCT
admet-28	7	37	while	while	SCONJ
admet-28	7	38	comp	comp	X
admet-28	7	39	.	.	NOUN
admet-28	7	40	2	2	NUM
admet-28	7	41	binds	bind	VERB
admet-28	7	42	to	to	PART
admet-28	7	43	sudlow	sudlow	VERB
admet-28	7	44	site	site	PROPN
admet-28	7	45	ii	ii	PROPN
admet-28	7	46	(	(	PUNCT
admet-28	7	47	kb	kb	PROPN
admet-28	7	48	=	=	SYM
admet-28	7	49	(	(	PUNCT
admet-28	7	50	3.2	3.2	NUM
admet-28	7	51	±	±	NUM
admet-28	7	52	0.9	0.9	NUM
admet-28	7	53	)	)	PUNCT
admet-28	7	54			VERB
admet-28	7	55	10	10	NUM
admet-28	7	56	4	4	NUM
admet-28	7	57	m	m	NOUN
admet-28	7	58	-1	-1	NOUN
admet-28	7	59	at	at	ADP
admet-28	7	60	37	37	NUM
admet-28	7	61	±	±	NUM
admet-28	7	62	1	1	NUM
admet-28	7	63	c	c	NOUN
admet-28	7	64	)	)	PUNCT
admet-28	7	65	.	.	PUNCT
admet-28	8	1	fluorescence	fluorescence	NOUN
admet-28	8	2	quenching	quenching	NOUN
admet-28	8	3	at	at	ADP
admet-28	8	4	different	different	ADJ
admet-28	8	5	temperatures	temperature	NOUN
admet-28	8	6	was	be	AUX
admet-28	8	7	analyzed	analyze	VERB
admet-28	8	8	using	use	VERB
admet-28	8	9	classical	classical	ADJ
admet-28	8	10	stern	stern	ADJ
admet-28	8	11	-	-	PUNCT
admet-28	8	12	volmer	volmer	NOUN
admet-28	8	13	equation	equation	NOUN
admet-28	8	14	,	,	PUNCT
admet-28	8	15	and	and	CCONJ
admet-28	8	16	a	a	DET
admet-28	8	17	static	static	ADJ
admet-28	8	18	quenching	quenching	NOUN
admet-28	8	19	mechanism	mechanism	NOUN
admet-28	8	20	was	be	AUX
admet-28	8	21	proposed	propose	VERB
admet-28	8	22	.	.	PUNCT
admet-28	9	1	energy	energy	NOUN
admet-28	9	2	resonance	resonance	NOUN
admet-28	9	3	transfer	transfer	NOUN
admet-28	9	4	between	between	ADP
admet-28	9	5	hsa	hsa	PROPN
admet-28	9	6	and	and	CCONJ
admet-28	9	7	comp	comp	NOUN
admet-28	9	8	.	.	PUNCT
admet-28	10	1	1	1	NUM
admet-28	10	2	was	be	AUX
admet-28	10	3	examined	examine	VERB
admet-28	10	4	according	accord	VERB
admet-28	10	5	to	to	ADP
admet-28	10	6	förster	förster	NOUN
admet-28	10	7	’s	’s	PART
admet-28	10	8	non	non	ADJ
admet-28	10	9	-	-	ADJ
admet-28	10	10	radiative	radiative	ADJ
admet-28	10	11	energy	energy	NOUN
admet-28	10	12	transfer	transfer	NOUN
admet-28	10	13	theory	theory	NOUN
admet-28	10	14	.	.	PUNCT
admet-28	11	1	distance	distance	NOUN
admet-28	11	2	of	of	ADP
admet-28	11	3	about	about	ADV
admet-28	11	4	10	10	NUM
admet-28	11	5	å	å	NOUN
admet-28	11	6	between	between	ADP
admet-28	11	7	ligand	ligand	NOUN
admet-28	11	8	and	and	CCONJ
admet-28	11	9	trp214	trp214	PROPN
admet-28	11	10	(	(	PUNCT
admet-28	11	11	hsa	hsa	PROPN
admet-28	11	12	)	)	PUNCT
admet-28	11	13	was	be	AUX
admet-28	11	14	obtained	obtain	VERB
admet-28	11	15	.	.	PUNCT
admet-28	12	1	docking	dock	VERB
admet-28	12	2	studies	study	NOUN
admet-28	12	3	confirmed	confirm	VERB
admet-28	12	4	hsa	hsa	PROPN
admet-28	12	5	sudlow	sudlow	PROPN
admet-28	12	6	site	site	NOUN
admet-28	12	7	i	i	PROPN
admet-28	12	8	as	as	ADP
admet-28	12	9	a	a	DET
admet-28	12	10	preferable	preferable	ADJ
admet-28	12	11	comp	comp	NOUN
admet-28	12	12	.	.	PUNCT
admet-28	13	1	1	1	NUM
admet-28	13	2	binding	bind	VERB
admet-28	13	3	site	site	NOUN
admet-28	13	4	,	,	PUNCT
admet-28	13	5	and	and	CCONJ
admet-28	13	6	sudlow	sudlow	PROPN
admet-28	13	7	site	site	PROPN
admet-28	13	8	ii	ii	PROPN
admet-28	13	9	as	as	ADP
admet-28	13	10	comp	comp	NOUN
admet-28	13	11	.	.	PUNCT
admet-28	14	1	2	2	NUM
admet-28	14	2	binding	bind	VERB
admet-28	14	3	site	site	NOUN
admet-28	14	4	.	.	PUNCT
admet-28	15	1	molecular	molecular	ADJ
admet-28	15	2	dynamics	dynamic	NOUN
admet-28	15	3	simulations	simulation	NOUN
admet-28	15	4	proved	prove	VERB
admet-28	15	5	the	the	DET
admet-28	15	6	stability	stability	NOUN
admet-28	15	7	of	of	ADP
admet-28	15	8	comp	comp	NOUN
admet-28	15	9	.	.	PUNCT
admet-28	16	1	1	1	NUM
admet-28	16	2	/	/	SYM
admet-28	16	3	hsa	hsa	PROPN
admet-28	16	4	complex	complex	NOUN
admet-28	16	5	.	.	PUNCT
admet-28	17	1	keywords	keyword	NOUN
admet-28	17	2	:	:	PUNCT
admet-28	17	3	fluorescence	fluorescence	NOUN
admet-28	17	4	spectroscopy	spectroscopy	NOUN
admet-28	17	5	;	;	PUNCT
admet-28	17	6	competitive	competitive	ADJ
admet-28	17	7	binding	binding	ADJ
admet-28	17	8	;	;	PUNCT
admet-28	17	9	molecular	molecular	ADJ
admet-28	17	10	dynamics	dynamic	NOUN
admet-28	17	11	;	;	PUNCT
admet-28	17	12	molecular	molecular	ADJ
admet-28	17	13	docking	docking	NOUN
admet-28	17	14	1	1	NUM
admet-28	17	15	.	.	PUNCT
admet-28	17	16	introduction	introduction	NOUN
admet-28	17	17	2-[(carboxymethyl)sulfanyl]-4	2-[(carboxymethyl)sulfanyl]-4	NUM
admet-28	17	18	-	-	PUNCT
admet-28	17	19	oxo-4	oxo-4	ADV
admet-28	17	20	-	-	PUNCT
admet-28	17	21	phenyl)butanoic	phenyl)butanoic	ADJ
admet-28	17	22	acids	acid	NOUN
admet-28	17	23	(	(	PUNCT
admet-28	17	24	csab	csab	ADJ
admet-28	17	25	)	)	PUNCT
admet-28	17	26	exert	exert	VERB
admet-28	17	27	antiproliferative	antiproliferative	ADJ
admet-28	17	28	activity	activity	NOUN
admet-28	17	29	toward	toward	ADP
admet-28	17	30	human	human	ADJ
admet-28	17	31	tumor	tumor	NOUN
admet-28	17	32	cell	cell	NOUN
admet-28	17	33	lines	line	NOUN
admet-28	17	34	in	in	ADP
admet-28	17	35	low	low	ADJ
admet-28	17	36	micromolar	micromolar	ADJ
admet-28	17	37	to	to	ADP
admet-28	17	38	submicromolar	submicromolar	ADJ
admet-28	17	39	concentrations	concentration	NOUN
admet-28	17	40	and	and	CCONJ
admet-28	17	41	significant	significant	ADJ
admet-28	17	42	selectivity	selectivity	NOUN
admet-28	17	43	.	.	PUNCT
admet-28	18	1	depending	depend	VERB
admet-28	18	2	on	on	ADP
admet-28	18	3	substitution	substitution	NOUN
admet-28	18	4	pattern	pattern	NOUN
admet-28	18	5	on	on	ADP
admet-28	18	6	the	the	DET
admet-28	18	7	aroyl	aroyl	ADJ
admet-28	18	8	ring	ring	NOUN
admet-28	18	9	,	,	PUNCT
admet-28	18	10	it	it	PRON
admet-28	18	11	was	be	AUX
admet-28	18	12	shown	show	VERB
admet-28	18	13	that	that	SCONJ
admet-28	18	14	some	some	DET
admet-28	18	15	congeners	congener	NOUN
admet-28	18	16	are	be	AUX
admet-28	18	17	significantly	significantly	ADV
admet-28	18	18	less	less	ADV
admet-28	18	19	toxic	toxic	ADJ
admet-28	18	20	toward	toward	ADP
admet-28	18	21	healthy	healthy	ADJ
admet-28	18	22	human	human	ADJ
admet-28	18	23	cells	cell	NOUN
admet-28	18	24	,	,	PUNCT
admet-28	18	25	comparing	compare	VERB
admet-28	18	26	to	to	ADP
admet-28	18	27	tumor	tumor	NOUN
admet-28	18	28	cells	cell	NOUN
admet-28	18	29	,	,	PUNCT
admet-28	18	30	in	in	ADP
admet-28	18	31	vitro	vitro	X
admet-28	19	1	[	[	X
admet-28	19	2	1	1	NUM
admet-28	19	3	]	]	PUNCT
admet-28	19	4	.	.	PUNCT
admet-28	20	1	low	low	PROPN
admet-28	20	2	compounds	compound	NOUN
admet-28	20	3	’	'	PUNCT
admet-28	20	4	toxicity	toxicity	NOUN
admet-28	20	5	tested	test	VERB
admet-28	20	6	on	on	ADP
admet-28	20	7	animal	animal	NOUN
admet-28	20	8	model	model	NOUN
admet-28	20	9	(	(	PUNCT
admet-28	20	10	in	in	ADP
admet-28	20	11	vivo	vivo	NOUN
admet-28	20	12	)	)	PUNCT
admet-28	20	13	was	be	AUX
admet-28	20	14	also	also	ADV
admet-28	20	15	proved	prove	VERB
admet-28	20	16	[	[	X
admet-28	20	17	2	2	NUM
admet-28	20	18	]	]	PUNCT
admet-28	20	19	.	.	PUNCT
admet-28	21	1	within	within	ADP
admet-28	21	2	the	the	DET
admet-28	21	3	frame	frame	NOUN
admet-28	21	4	of	of	ADP
admet-28	21	5	physico	physico	NOUN
admet-28	21	6	-	-	PUNCT
admet-28	21	7	chemical	chemical	NOUN
admet-28	21	8	profiling	profiling	NOUN
admet-28	21	9	of	of	ADP
admet-28	21	10	csab	csab	ADV
admet-28	21	11	,	,	PUNCT
admet-28	21	12	we	we	PRON
admet-28	21	13	report	report	VERB
admet-28	21	14	human	human	ADJ
admet-28	21	15	serum	serum	NOUN
admet-28	21	16	albumin	albumin	ADJ
admet-28	21	17	binding	binding	NOUN
admet-28	21	18	of	of	ADP
admet-28	21	19	the	the	DET
admet-28	21	20	derivative	derivative	ADJ
admet-28	21	21	bearing	bear	VERB
admet-28	21	22	4	4	NUM
admet-28	21	23	-	-	PUNCT
admet-28	21	24	tert	tert	NOUN
admet-28	21	25	-	-	PUNCT
admet-28	21	26	bu	bu	NOUN
admet-28	21	27	-	-	NOUN
admet-28	21	28	group	group	NOUN
admet-28	21	29	on	on	ADP
admet-28	21	30	aroyl	aroyl	ADJ
admet-28	21	31	ring	ring	NOUN
admet-28	21	32	(	(	PUNCT
admet-28	21	33	1	1	NUM
admet-28	21	34	)	)	PUNCT
admet-28	21	35	and	and	CCONJ
admet-28	21	36	its	its	PRON
admet-28	21	37	mono	mono	NOUN
admet-28	21	38	-	-	PUNCT
admet-28	21	39	me	i	PRON
admet-28	21	40	ester	ester	NOUN
admet-28	21	41	(	(	PUNCT
admet-28	21	42	2	2	NUM
admet-28	21	43	)	)	PUNCT
admet-28	21	44	,	,	PUNCT
admet-28	21	45	figure	figure	NOUN
admet-28	21	46	1	1	NUM
admet-28	21	47	.	.	PUNCT
admet-28	22	1	human	human	ADJ
admet-28	22	2	serum	serum	NOUN
admet-28	22	3	albumin	albumin	PROPN
admet-28	22	4	(	(	PUNCT
admet-28	22	5	hsa	hsa	PROPN
admet-28	22	6	)	)	PUNCT
admet-28	22	7	is	be	AUX
admet-28	22	8	the	the	DET
admet-28	22	9	most	most	ADV
admet-28	22	10	abundant	abundant	ADJ
admet-28	22	11	protein	protein	NOUN
admet-28	22	12	in	in	ADP
admet-28	22	13	blood	blood	NOUN
admet-28	22	14	plasma	plasma	NOUN
admet-28	22	15	and	and	CCONJ
admet-28	22	16	tissue	tissue	NOUN
admet-28	22	17	fluids	fluid	NOUN
admet-28	22	18	(	(	PUNCT
admet-28	22	19	concentration	concentration	NOUN
admet-28	22	20	in	in	ADP
admet-28	22	21	serum	serum	NOUN
admet-28	22	22	approximately	approximately	ADV
admet-28	22	23	0.6	0.6	NUM
admet-28	22	24	mm	mm	NOUN
admet-28	22	25	)	)	PUNCT
admet-28	22	26	and	and	CCONJ
admet-28	22	27	plays	play	VERB
admet-28	22	28	an	an	DET
admet-28	22	29	important	important	ADJ
admet-28	22	30	role	role	NOUN
admet-28	22	31	in	in	ADP
admet-28	22	32	osmotic	osmotic	ADJ
admet-28	22	33	pressure	pressure	NOUN
admet-28	22	34	and	and	CCONJ
admet-28	22	35	ph	ph	NOUN
admet-28	22	36	regulation	regulation	NOUN
admet-28	22	37	,	,	PUNCT
admet-28	22	38	transport	transport	NOUN
admet-28	22	39	of	of	ADP
admet-28	22	40	endogenous	endogenous	ADJ
admet-28	22	41	(	(	PUNCT
admet-28	22	42	fatty	fatty	NOUN
admet-28	22	43	acids	acid	NOUN
admet-28	22	44	,	,	PUNCT
admet-28	22	45	hormones	hormone	NOUN
admet-28	22	46	,	,	PUNCT
admet-28	22	47	bile	bile	NOUN
admet-28	22	48	acids	acid	NOUN
admet-28	22	49	,	,	PUNCT
admet-28	22	50	amino	amino	NOUN
admet-28	22	51	acids	acid	NOUN
admet-28	22	52	,	,	PUNCT
admet-28	22	53	etc	etc	X
admet-28	22	54	.	.	X
admet-28	22	55	)	)	PUNCT
admet-28	23	1	and	and	CCONJ
admet-28	23	2	exogenous	exogenous	ADJ
admet-28	23	3	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-28	23	4	mailto:tatjanad@chem.bg.ac.rs	mailto:tatjanad@chem.bg.ac.rs	NOUN
admet-28	23	5	admet	admet	PROPN
admet-28	23	6	&	&	CCONJ
admet-28	23	7	dmpk	dmpk	PROPN
admet-28	23	8	2(2	2(2	NUM
admet-28	23	9	)	)	PUNCT
admet-28	23	10	(	(	PUNCT
admet-28	23	11	2014	2014	NUM
admet-28	23	12	)	)	PUNCT
admet-28	23	13	126	126	NUM
admet-28	23	14	-	-	SYM
admet-28	23	15	142	142	NUM
admet-28	23	16	hsa	hsa	PROPN
admet-28	23	17	binding	bind	VERB
admet-28	23	18	doi	doi	NOUN
admet-28	23	19	:	:	PUNCT
admet-28	23	20	10.5599	10.5599	NUM
admet-28	23	21	/	/	SYM
admet-28	23	22	admet.2.2.28	admet.2.2.28	NOUN
admet-28	23	23	127	127	NUM
admet-28	23	24	compounds	compound	NOUN
admet-28	23	25	(	(	PUNCT
admet-28	23	26	drug	drug	NOUN
admet-28	23	27	molecules	molecule	NOUN
admet-28	23	28	and	and	CCONJ
admet-28	23	29	nutrients	nutrient	NOUN
admet-28	23	30	)	)	PUNCT
admet-28	23	31	.	.	PUNCT
admet-28	24	1	hsa	hsa	PROPN
admet-28	24	2	performs	perform	VERB
admet-28	24	3	other	other	ADJ
admet-28	24	4	functions	function	NOUN
admet-28	24	5	such	such	ADJ
admet-28	24	6	as	as	ADP
admet-28	24	7	sequestering	sequester	VERB
admet-28	24	8	oxygen	oxygen	NOUN
admet-28	24	9	free	free	ADJ
admet-28	24	10	radicals	radical	NOUN
admet-28	24	11	and	and	CCONJ
admet-28	24	12	inactivating	inactivate	VERB
admet-28	24	13	various	various	ADJ
admet-28	24	14	toxic	toxic	ADJ
admet-28	24	15	lipophilic	lipophilic	ADJ
admet-28	24	16	metabolites	metabolite	NOUN
admet-28	24	17	[	[	X
admet-28	24	18	3	3	NUM
admet-28	24	19	]	]	PUNCT
admet-28	24	20	.	.	PUNCT
admet-28	25	1	it	it	PRON
admet-28	25	2	is	be	AUX
admet-28	25	3	a	a	DET
admet-28	25	4	monomeric	monomeric	ADJ
admet-28	25	5	polypeptide	polypeptide	NOUN
admet-28	25	6	that	that	DET
admet-28	25	7	folds	fold	NOUN
admet-28	25	8	into	into	ADP
admet-28	25	9	three	three	NUM
admet-28	25	10	structurally	structurally	ADV
admet-28	25	11	distinct	distinct	ADJ
admet-28	25	12	and	and	CCONJ
admet-28	25	13	evolution	evolution	NOUN
admet-28	25	14	-	-	PUNCT
admet-28	25	15	related	relate	VERB
admet-28	25	16	helical	helical	ADJ
admet-28	25	17	domains	domain	NOUN
admet-28	25	18	(	(	PUNCT
admet-28	25	19	i	i	NOUN
admet-28	25	20	-	-	PUNCT
admet-28	25	21	iii	iii	NOUN
admet-28	25	22	)	)	PUNCT
admet-28	25	23	.	.	PUNCT
admet-28	26	1	each	each	DET
admet-28	26	2	domain	domain	NOUN
admet-28	26	3	comprises	comprise	VERB
admet-28	26	4	two	two	NUM
admet-28	26	5	subdomains	subdomain	NOUN
admet-28	26	6	(	(	PUNCT
admet-28	26	7	a	a	PRON
admet-28	26	8	and	and	CCONJ
admet-28	26	9	b	b	NOUN
admet-28	26	10	)	)	PUNCT
admet-28	26	11	,	,	PUNCT
admet-28	26	12	possessing	possess	VERB
admet-28	26	13	common	common	ADJ
admet-28	26	14	structural	structural	ADJ
admet-28	26	15	motifs	motif	NOUN
admet-28	26	16	,	,	PUNCT
admet-28	26	17	connected	connect	VERB
admet-28	26	18	by	by	ADP
admet-28	26	19	a	a	DET
admet-28	26	20	random	random	ADJ
admet-28	26	21	coil	coil	NOUN
admet-28	26	22	(	(	PUNCT
admet-28	26	23	figure	figure	NOUN
admet-28	26	24	2	2	NUM
admet-28	26	25	)	)	PUNCT
admet-28	26	26	.	.	PUNCT
admet-28	27	1	two	two	NUM
admet-28	27	2	out	out	ADP
admet-28	27	3	of	of	ADP
admet-28	27	4	six	six	NUM
admet-28	27	5	binding	bind	VERB
admet-28	27	6	sites	site	NOUN
admet-28	27	7	have	have	AUX
admet-28	27	8	been	be	AUX
admet-28	27	9	identified	identify	VERB
admet-28	27	10	as	as	ADP
admet-28	27	11	primary	primary	ADJ
admet-28	27	12	sites	site	NOUN
admet-28	27	13	for	for	ADP
admet-28	27	14	the	the	DET
admet-28	27	15	binding	binding	NOUN
admet-28	27	16	of	of	ADP
admet-28	27	17	drugs	drug	NOUN
admet-28	27	18	and	and	CCONJ
admet-28	27	19	drug	drug	NOUN
admet-28	27	20	-	-	PUNCT
admet-28	27	21	like	like	ADJ
admet-28	27	22	compounds	compound	NOUN
admet-28	27	23	[	[	X
admet-28	27	24	4,5	4,5	NUM
admet-28	27	25	]	]	PUNCT
admet-28	27	26	.	.	PUNCT
admet-28	28	1	sudlow	sudlow	PROPN
admet-28	28	2	site	site	NOUN
admet-28	28	3	i	i	PRON
admet-28	28	4	is	be	AUX
admet-28	28	5	located	locate	VERB
admet-28	28	6	in	in	ADP
admet-28	28	7	subdomain	subdomain	NOUN
admet-28	28	8	iia	iia	NOUN
admet-28	28	9	.	.	PUNCT
admet-28	29	1	low	low	ADJ
admet-28	29	2	stereoselectivity	stereoselectivity	NOUN
admet-28	29	3	of	of	ADP
admet-28	29	4	this	this	DET
admet-28	29	5	site	site	NOUN
admet-28	29	6	toward	toward	ADP
admet-28	29	7	small	small	ADJ
admet-28	29	8	organic	organic	ADJ
admet-28	29	9	molecules	molecule	NOUN
admet-28	29	10	(	(	PUNCT
admet-28	29	11	som	som	NOUN
admet-28	29	12	)	)	PUNCT
admet-28	29	13	might	might	AUX
admet-28	29	14	be	be	AUX
admet-28	29	15	ascribed	ascribe	VERB
admet-28	29	16	to	to	ADP
admet-28	29	17	its	its	PRON
admet-28	29	18	flexibility	flexibility	NOUN
admet-28	29	19	.	.	PUNCT
admet-28	30	1	ligands	ligand	NOUN
admet-28	30	2	that	that	PRON
admet-28	30	3	strongly	strongly	ADV
admet-28	30	4	bind	bind	VERB
admet-28	30	5	to	to	ADP
admet-28	30	6	site	site	NOUN
admet-28	30	7	i	i	PRON
admet-28	30	8	are	be	AUX
admet-28	30	9	generally	generally	ADV
admet-28	30	10	supposed	suppose	VERB
admet-28	30	11	to	to	PART
admet-28	30	12	be	be	AUX
admet-28	30	13	dicarboxylic	dicarboxylic	ADJ
admet-28	30	14	acids	acid	NOUN
admet-28	30	15	and/or	and/or	CCONJ
admet-28	30	16	bulky	bulky	ADJ
admet-28	30	17	heterocyclic	heterocyclic	ADJ
admet-28	30	18	molecules	molecule	NOUN
admet-28	30	19	with	with	ADP
admet-28	30	20	a	a	DET
admet-28	30	21	negative	negative	ADJ
admet-28	30	22	charge	charge	NOUN
admet-28	30	23	localized	localize	VERB
admet-28	30	24	in	in	ADP
admet-28	30	25	the	the	DET
admet-28	30	26	middle	middle	NOUN
admet-28	30	27	of	of	ADP
admet-28	30	28	the	the	DET
admet-28	30	29	molecule	molecule	NOUN
admet-28	30	30	(	(	PUNCT
admet-28	30	31	warfarin	warfarin	NOUN
admet-28	30	32	,	,	PUNCT
admet-28	30	33	azapropazone	azapropazone	NOUN
admet-28	30	34	,	,	PUNCT
admet-28	30	35	phenylbutazone	phenylbutazone	NOUN
admet-28	30	36	,	,	PUNCT
admet-28	30	37	etc	etc	X
admet-28	30	38	.	.	X
admet-28	30	39	)	)	PUNCT
admet-28	30	40	.	.	PUNCT
admet-28	31	1	sudlow	sudlow	PROPN
admet-28	31	2	site	site	PROPN
admet-28	31	3	ii	ii	PROPN
admet-28	31	4	is	be	AUX
admet-28	31	5	located	locate	VERB
admet-28	31	6	in	in	ADP
admet-28	31	7	subdomain	subdomain	NOUN
admet-28	31	8	iiia	iiia	NOUN
admet-28	31	9	,	,	PUNCT
admet-28	31	10	and	and	CCONJ
admet-28	31	11	is	be	AUX
admet-28	31	12	smaller	small	ADJ
admet-28	31	13	,	,	PUNCT
admet-28	31	14	but	but	CCONJ
admet-28	31	15	topologically	topologically	ADV
admet-28	31	16	similar	similar	ADJ
admet-28	31	17	to	to	ADP
admet-28	31	18	site	site	NOUN
admet-28	31	19	i.	i.	PROPN
admet-28	31	20	site	site	PROPN
admet-28	31	21	ii	ii	PROPN
admet-28	31	22	appears	appear	VERB
admet-28	31	23	to	to	PART
admet-28	31	24	be	be	AUX
admet-28	31	25	less	less	ADV
admet-28	31	26	flexible	flexible	ADJ
admet-28	31	27	,	,	PUNCT
admet-28	31	28	since	since	SCONJ
admet-28	31	29	ligand	ligand	NOUN
admet-28	31	30	binding	bind	VERB
admet-28	31	31	to	to	ADP
admet-28	31	32	this	this	DET
admet-28	31	33	site	site	NOUN
admet-28	31	34	often	often	ADV
admet-28	31	35	shows	show	VERB
admet-28	31	36	stereoselectivity	stereoselectivity	NOUN
admet-28	31	37	,	,	PUNCT
admet-28	31	38	and	and	CCONJ
admet-28	31	39	binding	binding	NOUN
admet-28	31	40	is	be	AUX
admet-28	31	41	strongly	strongly	ADV
admet-28	31	42	affected	affect	VERB
admet-28	31	43	by	by	ADP
admet-28	31	44	small	small	ADJ
admet-28	31	45	structural	structural	ADJ
admet-28	31	46	modifications	modification	NOUN
admet-28	31	47	of	of	ADP
admet-28	31	48	the	the	DET
admet-28	31	49	ligand	ligand	NOUN
admet-28	31	50	.	.	PUNCT
admet-28	32	1	site	site	NOUN
admet-28	32	2	ii	ii	PROPN
admet-28	32	3	(	(	PUNCT
admet-28	32	4	also	also	ADV
admet-28	32	5	called	call	VERB
admet-28	32	6	the	the	DET
admet-28	32	7	indole	indole	ADJ
admet-28	32	8	-	-	PUNCT
admet-28	32	9	benzodiazepine	benzodiazepine	NOUN
admet-28	32	10	site	site	NOUN
admet-28	32	11	)	)	PUNCT
admet-28	32	12	preferably	preferably	ADV
admet-28	32	13	accommodates	accommodate	VERB
admet-28	32	14	aromatic	aromatic	ADJ
admet-28	32	15	carboxylic	carboxylic	ADJ
admet-28	32	16	acids	acid	NOUN
admet-28	32	17	,	,	PUNCT
admet-28	32	18	with	with	ADP
admet-28	32	19	a	a	DET
admet-28	32	20	negative	negative	ADJ
admet-28	32	21	charge	charge	NOUN
admet-28	32	22	located	locate	VERB
admet-28	32	23	distant	distant	ADJ
admet-28	32	24	from	from	ADP
admet-28	32	25	the	the	DET
admet-28	32	26	hydrophobic	hydrophobic	NOUN
admet-28	32	27	region	region	NOUN
admet-28	32	28	of	of	ADP
admet-28	32	29	the	the	DET
admet-28	32	30	molecule	molecule	NOUN
admet-28	32	31	.	.	PUNCT
admet-28	33	1	it	it	PRON
admet-28	33	2	is	be	AUX
admet-28	33	3	specific	specific	ADJ
admet-28	33	4	for	for	ADP
admet-28	33	5	ibuprofen	ibuprofen	NOUN
admet-28	33	6	,	,	PUNCT
admet-28	33	7	1	1	NUM
admet-28	33	8	-	-	PUNCT
admet-28	33	9	anilino-8	anilino-8	NUM
admet-28	33	10	-	-	PUNCT
admet-28	33	11	naphthalene	naphthalene	NOUN
admet-28	33	12	sulfonic	sulfonic	ADJ
admet-28	33	13	acid	acid	NOUN
admet-28	33	14	(	(	PUNCT
admet-28	33	15	ans	an	NOUN
admet-28	33	16	)	)	PUNCT
admet-28	33	17	,	,	PUNCT
admet-28	33	18	diazepam	diazepam	NOUN
admet-28	33	19	,	,	PUNCT
admet-28	33	20	dansylsarcosine	dansylsarcosine	NOUN
admet-28	33	21	,	,	PUNCT
admet-28	33	22	etc	etc	X
admet-28	33	23	.	.	X
admet-28	34	1	however	however	ADV
admet-28	34	2	,	,	PUNCT
admet-28	34	3	these	these	DET
admet-28	34	4	structural	structural	ADJ
admet-28	34	5	features	feature	NOUN
admet-28	34	6	are	be	AUX
admet-28	34	7	not	not	PART
admet-28	34	8	strict	strict	ADJ
admet-28	34	9	prerequisites	prerequisite	NOUN
admet-28	34	10	for	for	ADP
admet-28	34	11	site	site	NOUN
admet-28	34	12	i	i	PRON
admet-28	34	13	and	and	CCONJ
admet-28	34	14	site	site	PROPN
admet-28	34	15	ii	ii	PROPN
admet-28	34	16	binding	binding	NOUN
admet-28	34	17	,	,	PUNCT
admet-28	34	18	since	since	SCONJ
admet-28	34	19	numerous	numerous	ADJ
admet-28	34	20	ligands	ligand	NOUN
admet-28	34	21	are	be	AUX
admet-28	34	22	known	know	VERB
admet-28	34	23	to	to	PART
admet-28	34	24	bind	bind	VERB
admet-28	34	25	to	to	ADP
admet-28	34	26	both	both	DET
admet-28	34	27	drug	drug	NOUN
admet-28	34	28	binding	bind	VERB
admet-28	34	29	sites	site	NOUN
admet-28	34	30	,	,	PUNCT
admet-28	34	31	though	though	SCONJ
admet-28	34	32	with	with	ADP
admet-28	34	33	different	different	ADJ
admet-28	34	34	affinities	affinity	NOUN
admet-28	35	1	[	[	X
admet-28	35	2	6	6	NUM
admet-28	35	3	]	]	PUNCT
admet-28	35	4	.	.	PUNCT
admet-28	36	1	figure	figure	NOUN
admet-28	36	2	1	1	NUM
admet-28	36	3	.	.	PUNCT
admet-28	37	1	structure	structure	NOUN
admet-28	37	2	of	of	ADP
admet-28	37	3	2-[(carboxymethyl)sulfanyl]-4	2-[(carboxymethyl)sulfanyl]-4	NUM
admet-28	37	4	-	-	PUNCT
admet-28	37	5	oxo-4-(4	oxo-4-(4	NOUN
admet-28	37	6	-	-	PUNCT
admet-28	37	7	tert	tert	NOUN
admet-28	37	8	-	-	PUNCT
admet-28	37	9	butylphenyl)butanoic	butylphenyl)butanoic	NOUN
admet-28	37	10	acid	acid	NOUN
admet-28	37	11	(	(	PUNCT
admet-28	37	12	4	4	NUM
admet-28	37	13	-	-	PUNCT
admet-28	37	14	tert	tert	NOUN
admet-28	37	15	-	-	PUNCT
admet-28	37	16	bu	bu	NOUN
admet-28	37	17	-	-	PUNCT
admet-28	37	18	csab	csab	NOUN
admet-28	37	19	,	,	PUNCT
admet-28	37	20	r	r	NOUN
admet-28	37	21	=	=	SYM
admet-28	37	22	h	h	NOUN
admet-28	37	23	,	,	PUNCT
admet-28	37	24	comp	comp	NOUN
admet-28	37	25	.	.	PUNCT
admet-28	38	1	1	1	NUM
admet-28	38	2	)	)	PUNCT
admet-28	38	3	and	and	CCONJ
admet-28	38	4	its	its	PRON
admet-28	38	5	me	me	NOUN
admet-28	38	6	-	-	PUNCT
admet-28	38	7	ester	ester	NOUN
admet-28	38	8	(	(	PUNCT
admet-28	38	9	r	r	NOUN
admet-28	38	10	=	=	SYM
admet-28	38	11	me	me	PROPN
admet-28	38	12	,	,	PUNCT
admet-28	38	13	comp	comp	NOUN
admet-28	38	14	.	.	PUNCT
admet-28	38	15	2	2	NUM
admet-28	38	16	)	)	PUNCT
admet-28	38	17	.	.	PUNCT
admet-28	39	1	the	the	DET
admet-28	39	2	som	som	NOUN
admet-28	39	3	in	in	ADP
admet-28	39	4	blood	blood	NOUN
admet-28	39	5	circulation	circulation	NOUN
admet-28	39	6	can	can	AUX
admet-28	39	7	exist	exist	VERB
admet-28	39	8	as	as	ADV
admet-28	39	9	free	free	ADJ
admet-28	39	10	(	(	PUNCT
admet-28	39	11	unbound	unbound	ADJ
admet-28	39	12	)	)	PUNCT
admet-28	39	13	form	form	NOUN
admet-28	39	14	,	,	PUNCT
admet-28	39	15	or	or	CCONJ
admet-28	39	16	bound	bind	VERB
admet-28	39	17	to	to	ADP
admet-28	39	18	plasma	plasma	NOUN
admet-28	39	19	proteins	protein	NOUN
admet-28	39	20	(	(	PUNCT
admet-28	39	21	pp	pp	ADJ
admet-28	39	22	)	)	PUNCT
admet-28	39	23	.	.	PUNCT
admet-28	40	1	weak	weak	ADJ
admet-28	40	2	pp	pp	CCONJ
admet-28	40	3	binding	bind	VERB
admet-28	40	4	leads	lead	NOUN
admet-28	40	5	to	to	ADP
admet-28	40	6	a	a	DET
admet-28	40	7	short	short	ADJ
admet-28	40	8	lifetime	lifetime	NOUN
admet-28	40	9	or	or	CCONJ
admet-28	40	10	poor	poor	ADJ
admet-28	40	11	tissue	tissue	NOUN
admet-28	40	12	distribution	distribution	NOUN
admet-28	40	13	of	of	ADP
admet-28	40	14	som	som	NOUN
admet-28	40	15	,	,	PUNCT
admet-28	40	16	whereas	whereas	SCONJ
admet-28	40	17	strong	strong	ADJ
admet-28	40	18	binding	bind	VERB
admet-28	40	19	decreases	decrease	VERB
admet-28	40	20	the	the	DET
admet-28	40	21	concentrations	concentration	NOUN
admet-28	40	22	of	of	ADP
admet-28	40	23	free	free	ADJ
admet-28	40	24	som	som	NOUN
admet-28	40	25	in	in	ADP
admet-28	40	26	plasma	plasma	NOUN
admet-28	40	27	.	.	PUNCT
admet-28	41	1	consequently	consequently	ADV
admet-28	41	2	,	,	PUNCT
admet-28	41	3	investigations	investigation	NOUN
admet-28	41	4	of	of	ADP
admet-28	41	5	the	the	DET
admet-28	41	6	lead	lead	NOUN
admet-28	41	7	compounds	compound	VERB
admet-28	41	8	’	'	PUNCT
admet-28	41	9	affinity	affinity	NOUN
admet-28	41	10	to	to	PART
admet-28	41	11	serum	serum	VERB
admet-28	41	12	albumin	albumin	NOUN
admet-28	41	13	,	,	PUNCT
admet-28	41	14	and	and	CCONJ
admet-28	41	15	the	the	DET
admet-28	41	16	corresponding	correspond	VERB
admet-28	41	17	interaction	interaction	NOUN
admet-28	41	18	mechanisms	mechanism	NOUN
admet-28	41	19	,	,	PUNCT
admet-28	41	20	along	along	ADP
admet-28	41	21	with	with	ADP
admet-28	41	22	other	other	ADJ
admet-28	41	23	important	important	ADJ
admet-28	41	24	adme	adme	NOUN
admet-28	41	25	/	/	SYM
admet-28	41	26	tox	tox	NOUN
admet-28	41	27	properties	property	NOUN
admet-28	41	28	(	(	PUNCT
admet-28	41	29	cyp450	cyp450	NOUN
admet-28	41	30	transformation	transformation	NOUN
admet-28	41	31	,	,	PUNCT
admet-28	41	32	herg	herg	PROPN
admet-28	41	33	blockade	blockade	NOUN
admet-28	41	34	,	,	PUNCT
admet-28	41	35	volume	volume	NOUN
admet-28	41	36	of	of	ADP
admet-28	41	37	distribution	distribution	NOUN
admet-28	41	38	,	,	PUNCT
admet-28	41	39	etc	etc	X
admet-28	41	40	.	.	X
admet-28	41	41	)	)	PUNCT
admet-28	41	42	,	,	PUNCT
admet-28	41	43	may	may	AUX
admet-28	41	44	provide	provide	VERB
admet-28	41	45	useful	useful	ADJ
admet-28	41	46	information	information	NOUN
admet-28	41	47	about	about	ADP
admet-28	41	48	their	their	PRON
admet-28	41	49	pharmacokinetics	pharmacokinetic	NOUN
admet-28	42	1	[	[	X
admet-28	42	2	6,7	6,7	NUM
admet-28	42	3	]	]	PUNCT
admet-28	42	4	.	.	PUNCT
admet-28	43	1	binding	bind	VERB
admet-28	43	2	of	of	ADP
admet-28	43	3	som	som	NOUN
admet-28	43	4	to	to	ADP
admet-28	43	5	proteins	protein	NOUN
admet-28	43	6	is	be	AUX
admet-28	43	7	studied	study	VERB
admet-28	43	8	by	by	ADP
admet-28	43	9	different	different	ADJ
admet-28	43	10	instrumental	instrumental	ADJ
admet-28	43	11	techniques	technique	NOUN
admet-28	43	12	[	[	X
admet-28	43	13	8	8	NUM
admet-28	43	14	-	-	SYM
admet-28	43	15	12	12	NUM
admet-28	43	16	]	]	PUNCT
admet-28	43	17	.	.	PUNCT
admet-28	44	1	fluorescence	fluorescence	ADJ
admet-28	44	2	measurements	measurement	NOUN
admet-28	44	3	are	be	AUX
admet-28	44	4	often	often	ADV
admet-28	44	5	used	use	VERB
admet-28	44	6	to	to	PART
admet-28	44	7	study	study	VERB
admet-28	44	8	som	som	NOUN
admet-28	44	9	binding	bind	VERB
admet-28	44	10	to	to	ADP
admet-28	44	11	proteins	protein	NOUN
admet-28	44	12	because	because	SCONJ
admet-28	44	13	information	information	NOUN
admet-28	44	14	on	on	ADP
admet-28	44	15	binding	bind	VERB
admet-28	44	16	mechanism	mechanism	NOUN
admet-28	44	17	,	,	PUNCT
admet-28	44	18	binding	binding	ADJ
admet-28	44	19	mode	mode	NOUN
admet-28	44	20	,	,	PUNCT
admet-28	44	21	binding	bind	VERB
admet-28	44	22	constants	constant	NOUN
admet-28	44	23	,	,	PUNCT
admet-28	44	24	binding	bind	VERB
admet-28	44	25	sites	site	NOUN
admet-28	44	26	,	,	PUNCT
admet-28	44	27	intermolecular	intermolecular	ADJ
admet-28	44	28	distances	distance	NOUN
admet-28	44	29	,	,	PUNCT
admet-28	44	30	etc	etc	X
admet-28	44	31	.	.	X
admet-28	44	32	,	,	PUNCT
admet-28	44	33	can	can	AUX
admet-28	44	34	be	be	AUX
admet-28	44	35	easily	easily	ADV
admet-28	44	36	obtained	obtain	VERB
admet-28	44	37	.	.	PUNCT
admet-28	45	1	fluorescence	fluorescence	NOUN
admet-28	45	2	of	of	ADP
admet-28	45	3	albumins	albumin	NOUN
admet-28	45	4	mostly	mostly	ADV
admet-28	45	5	originates	originate	VERB
admet-28	45	6	from	from	ADP
admet-28	45	7	two	two	NUM
admet-28	45	8	types	type	NOUN
admet-28	45	9	of	of	ADP
admet-28	45	10	fluorophores	fluorophore	NOUN
admet-28	45	11	:	:	PUNCT
admet-28	45	12	tryptophanyl	tryptophanyl	NOUN
admet-28	45	13	and	and	CCONJ
admet-28	45	14	tyrosyl	tyrosyl	NOUN
admet-28	45	15	[	[	X
admet-28	45	16	13	13	NUM
admet-28	45	17	]	]	PUNCT
admet-28	45	18	.	.	PUNCT
admet-28	46	1	tryptophan	tryptophan	NOUN
admet-28	46	2	,	,	PUNCT
admet-28	46	3	tyrosine	tyrosine	NOUN
admet-28	46	4	,	,	PUNCT
admet-28	46	5	and	and	CCONJ
admet-28	46	6	phenylalanine	phenylalanine	NOUN
admet-28	46	7	are	be	AUX
admet-28	46	8	three	three	NUM
admet-28	46	9	fluorophores	fluorophore	NOUN
admet-28	46	10	in	in	ADP
admet-28	46	11	hsa	hsa	PROPN
admet-28	46	12	(	(	PUNCT
admet-28	46	13	and	and	CCONJ
admet-28	46	14	in	in	ADP
admet-28	46	15	the	the	DET
admet-28	46	16	majority	majority	NOUN
admet-28	46	17	of	of	ADP
admet-28	46	18	other	other	ADJ
admet-28	46	19	proteins	protein	NOUN
admet-28	46	20	)	)	PUNCT
admet-28	46	21	,	,	PUNCT
admet-28	46	22	but	but	CCONJ
admet-28	46	23	the	the	DET
admet-28	46	24	fluorescence	fluorescence	NOUN
admet-28	46	25	of	of	ADP
admet-28	46	26	hsa	hsa	PROPN
admet-28	46	27	almost	almost	ADV
admet-28	46	28	exclusively	exclusively	ADV
admet-28	46	29	originates	originate	VERB
admet-28	46	30	from	from	ADP
admet-28	46	31	tryptophan	tryptophan	NOUN
admet-28	46	32	214	214	NUM
admet-28	46	33	(	(	PUNCT
admet-28	46	34	trp214	trp214	PROPN
admet-28	46	35	)	)	PUNCT
admet-28	46	36	alone	alone	ADV
admet-28	46	37	.	.	PUNCT
admet-28	47	1	phenylalanine	phenylalanine	NOUN
admet-28	47	2	has	have	VERB
admet-28	47	3	a	a	DET
admet-28	47	4	very	very	ADV
admet-28	47	5	low	low	ADJ
admet-28	47	6	quantum	quantum	NOUN
admet-28	47	7	yield	yield	NOUN
admet-28	47	8	and	and	CCONJ
admet-28	47	9	the	the	DET
admet-28	47	10	fluorescence	fluorescence	NOUN
admet-28	47	11	of	of	ADP
admet-28	47	12	tyrosine	tyrosine	NOUN
admet-28	47	13	is	be	AUX
admet-28	47	14	almost	almost	ADV
admet-28	47	15	entirely	entirely	ADV
admet-28	47	16	quenched	quench	VERB
admet-28	47	17	if	if	SCONJ
admet-28	47	18	it	it	PRON
admet-28	47	19	is	be	AUX
admet-28	47	20	near	near	ADJ
admet-28	47	21	to	to	ADP
admet-28	47	22	an	an	DET
admet-28	47	23	amino	amino	NOUN
admet-28	47	24	group	group	NOUN
admet-28	47	25	,	,	PUNCT
admet-28	47	26	a	a	DET
admet-28	47	27	carboxyl	carboxyl	NOUN
admet-28	47	28	group	group	NOUN
admet-28	47	29	,	,	PUNCT
admet-28	47	30	or	or	CCONJ
admet-28	47	31	a	a	DET
admet-28	47	32	tryptophan	tryptophan	NOUN
admet-28	47	33	.	.	PUNCT
admet-28	48	1	upon	upon	SCONJ
admet-28	48	2	binding	bind	VERB
admet-28	48	3	of	of	ADP
admet-28	48	4	som	som	PROPN
admet-28	48	5	to	to	ADP
admet-28	48	6	hsa	hsa	PROPN
admet-28	48	7	,	,	PUNCT
admet-28	48	8	changes	change	NOUN
admet-28	48	9	of	of	ADP
admet-28	48	10	intrinsic	intrinsic	ADJ
admet-28	48	11	fluorescence	fluorescence	NOUN
admet-28	48	12	intensity	intensity	NOUN
admet-28	48	13	of	of	ADP
admet-28	48	14	hsa	hsa	PROPN
admet-28	48	15	become	become	AUX
admet-28	48	16	induced	induce	VERB
admet-28	48	17	by	by	ADP
admet-28	48	18	the	the	DET
admet-28	48	19	microenvironment	microenvironment	NOUN
admet-28	48	20	of	of	ADP
admet-28	48	21	trp214	trp214	PROPN
admet-28	48	22	[	[	X
admet-28	48	23	14	14	NUM
admet-28	48	24	]	]	PUNCT
admet-28	48	25	.	.	PUNCT
admet-28	49	1	computational	computational	ADJ
admet-28	49	2	methods	method	NOUN
admet-28	49	3	,	,	PUNCT
admet-28	49	4	such	such	ADJ
admet-28	49	5	as	as	ADP
admet-28	49	6	molecular	molecular	ADJ
admet-28	49	7	dynamics	dynamic	NOUN
admet-28	49	8	(	(	PUNCT
admet-28	49	9	md	md	NOUN
admet-28	49	10	)	)	PUNCT
admet-28	49	11	simulations	simulation	NOUN
admet-28	49	12	and	and	CCONJ
admet-28	49	13	molecular	molecular	ADJ
admet-28	49	14	docking	docking	NOUN
admet-28	49	15	,	,	PUNCT
admet-28	49	16	are	be	AUX
admet-28	49	17	very	very	ADV
admet-28	49	18	useful	useful	ADJ
admet-28	49	19	tools	tool	NOUN
admet-28	49	20	for	for	ADP
admet-28	49	21	studying	study	VERB
admet-28	49	22	the	the	DET
admet-28	49	23	protein	protein	NOUN
admet-28	49	24	-	-	PUNCT
admet-28	49	25	ligand	ligand	NOUN
admet-28	49	26	interactions	interaction	NOUN
admet-28	49	27	.	.	PUNCT
admet-28	50	1	md	md	PROPN
admet-28	50	2	is	be	AUX
admet-28	50	3	often	often	ADV
admet-28	50	4	used	use	VERB
admet-28	50	5	for	for	ADP
admet-28	50	6	simulations	simulation	NOUN
admet-28	50	7	of	of	ADP
admet-28	50	8	protein	protein	NOUN
admet-28	50	9	conformational	conformational	ADJ
admet-28	50	10	changes	change	NOUN
admet-28	50	11	upon	upon	SCONJ
admet-28	50	12	binding	bind	VERB
admet-28	50	13	to	to	PART
admet-28	50	14	ligand	ligand	VERB
admet-28	50	15	.	.	PUNCT
admet-28	51	1	if	if	SCONJ
admet-28	51	2	the	the	DET
admet-28	51	3	position	position	NOUN
admet-28	51	4	,	,	PUNCT
admet-28	51	5	or	or	CCONJ
admet-28	51	6	the	the	DET
admet-28	51	7	orientation	orientation	NOUN
admet-28	51	8	,	,	PUNCT
admet-28	51	9	of	of	ADP
admet-28	51	10	the	the	DET
admet-28	51	11	ligand	ligand	NOUN
admet-28	51	12	in	in	ADP
admet-28	51	13	protein	protein	NOUN
admet-28	51	14	cvijetić	cvijetić	NOUN
admet-28	51	15	et.al	et.al	PROPN
admet-28	51	16	.	.	PUNCT
admet-28	52	1	admet	admet	PROPN
admet-28	52	2	&	&	CCONJ
admet-28	52	3	dmpk	dmpk	PROPN
admet-28	52	4	2(2	2(2	NUM
admet-28	52	5	)	)	PUNCT
admet-28	52	6	(	(	PUNCT
admet-28	52	7	2014	2014	NUM
admet-28	52	8	)	)	PUNCT
admet-28	52	9	126	126	NUM
admet-28	52	10	-	-	SYM
admet-28	52	11	142	142	NUM
admet-28	52	12	128	128	NUM
admet-28	52	13	binding	bind	VERB
admet-28	52	14	site	site	NOUN
admet-28	52	15	is	be	AUX
admet-28	52	16	unknown	unknown	ADJ
admet-28	52	17	,	,	PUNCT
admet-28	52	18	docking	dock	VERB
admet-28	52	19	simulations	simulation	NOUN
admet-28	52	20	are	be	AUX
admet-28	52	21	the	the	DET
admet-28	52	22	most	most	ADV
admet-28	52	23	often	often	ADV
admet-28	52	24	used	use	VERB
admet-28	52	25	in	in	ADP
admet-28	52	26	silico	silico	NOUN
admet-28	52	27	method	method	NOUN
admet-28	52	28	for	for	ADP
admet-28	52	29	obtaininig	obtaininig	NOUN
admet-28	52	30	the	the	DET
admet-28	52	31	input	input	NOUN
admet-28	52	32	for	for	ADP
admet-28	52	33	md	md	PROPN
admet-28	52	34	simulation	simulation	PROPN
admet-28	52	35	.	.	PUNCT
admet-28	53	1	b	b	X
admet-28	53	2	)	)	PUNCT
admet-28	53	3	a	a	PRON
admet-28	53	4	)	)	PUNCT
admet-28	53	5	c	c	NOUN
admet-28	53	6	)	)	PUNCT
admet-28	53	7	figure	figure	NOUN
admet-28	53	8	2	2	NUM
admet-28	53	9	.	.	PUNCT
admet-28	54	1	a	a	X
admet-28	54	2	)	)	PUNCT
admet-28	54	3	structure	structure	NOUN
admet-28	54	4	of	of	ADP
admet-28	54	5	hsa	hsa	PROPN
admet-28	54	6	(	(	PUNCT
admet-28	54	7	pdb	pdb	PROPN
admet-28	54	8	i	i	PROPN
admet-28	54	9	d	d	PROPN
admet-28	54	10	1bj5	1bj5	NUM
admet-28	54	11	)	)	PUNCT
admet-28	54	12	and	and	CCONJ
admet-28	54	13	the	the	DET
admet-28	54	14	location	location	NOUN
admet-28	54	15	of	of	ADP
admet-28	54	16	major	major	ADJ
admet-28	54	17	binding	bind	VERB
admet-28	54	18	sites	site	NOUN
admet-28	54	19	,	,	PUNCT
admet-28	54	20	trp214	trp214	PROPN
admet-28	54	21	is	be	AUX
admet-28	54	22	depicted	depict	VERB
admet-28	54	23	in	in	ADP
admet-28	54	24	stick	stick	NOUN
admet-28	54	25	representation	representation	NOUN
admet-28	54	26	.	.	PUNCT
admet-28	55	1	b	b	X
admet-28	55	2	)	)	PUNCT
admet-28	55	3	sudlow	sudlow	ADJ
admet-28	55	4	site	site	NOUN
admet-28	55	5	i	i	PRON
admet-28	55	6	,	,	PUNCT
admet-28	55	7	with	with	ADP
admet-28	55	8	bound	bind	VERB
admet-28	55	9	warfarin	warfarin	NOUN
admet-28	55	10	,	,	PUNCT
admet-28	55	11	is	be	AUX
admet-28	55	12	depicted	depict	VERB
admet-28	55	13	from	from	ADP
admet-28	55	14	the	the	DET
admet-28	55	15	pdb	pdb	PROPN
admet-28	55	16	entry	entry	NOUN
admet-28	55	17	2bxd	2bxd	NUM
admet-28	55	18	.	.	PUNCT
admet-28	56	1	c	c	X
admet-28	56	2	)	)	PUNCT
admet-28	56	3	sudlow	sudlow	PROPN
admet-28	56	4	site	site	PROPN
admet-28	56	5	ii	ii	PROPN
admet-28	56	6	,	,	PUNCT
admet-28	56	7	with	with	ADP
admet-28	56	8	bound	bind	VERB
admet-28	56	9	ibuprofen	ibuprofen	NOUN
admet-28	56	10	is	be	AUX
admet-28	56	11	depicted	depict	VERB
admet-28	56	12	from	from	ADP
admet-28	56	13	the	the	DET
admet-28	56	14	pdb	pdb	PROPN
admet-28	56	15	entry	entry	NOUN
admet-28	56	16	2bgx	2bgx	PROPN
admet-28	56	17	.	.	PUNCT
admet-28	57	1	in	in	ADP
admet-28	57	2	the	the	DET
admet-28	57	3	present	present	ADJ
admet-28	57	4	work	work	NOUN
admet-28	57	5	,	,	PUNCT
admet-28	57	6	we	we	PRON
admet-28	57	7	used	use	VERB
admet-28	57	8	combination	combination	NOUN
admet-28	57	9	of	of	ADP
admet-28	57	10	experimental	experimental	ADJ
admet-28	57	11	and	and	CCONJ
admet-28	57	12	computational	computational	ADJ
admet-28	57	13	techniques	technique	NOUN
admet-28	57	14	in	in	ADP
admet-28	57	15	order	order	NOUN
admet-28	57	16	to	to	PART
admet-28	57	17	find	find	VERB
admet-28	57	18	the	the	DET
admet-28	57	19	location	location	NOUN
admet-28	57	20	and	and	CCONJ
admet-28	57	21	to	to	PART
admet-28	57	22	estimate	estimate	VERB
admet-28	57	23	the	the	DET
admet-28	57	24	strength	strength	NOUN
admet-28	57	25	of	of	ADP
admet-28	57	26	compounds	compound	NOUN
admet-28	57	27	1	1	NUM
admet-28	57	28	and	and	CCONJ
admet-28	57	29	2	2	NUM
admet-28	57	30	binding	bind	VERB
admet-28	57	31	to	to	ADP
admet-28	57	32	hsa	hsa	PROPN
admet-28	57	33	.	.	PUNCT
admet-28	58	1	the	the	DET
admet-28	58	2	number	number	NOUN
admet-28	58	3	of	of	ADP
admet-28	58	4	binding	bind	VERB
admet-28	58	5	sites	site	NOUN
admet-28	58	6	per	per	ADP
admet-28	58	7	hsa	hsa	PROPN
admet-28	58	8	molecule	molecule	NOUN
admet-28	58	9	has	have	AUX
admet-28	58	10	also	also	ADV
admet-28	58	11	been	be	AUX
admet-28	58	12	determined	determine	VERB
admet-28	58	13	.	.	PUNCT
admet-28	59	1	the	the	DET
admet-28	59	2	fluorescence	fluorescence	ADJ
admet-28	59	3	quenching	quenching	NOUN
admet-28	59	4	mechanism	mechanism	NOUN
admet-28	59	5	was	be	AUX
admet-28	59	6	proposed	propose	VERB
admet-28	59	7	according	accord	VERB
admet-28	59	8	to	to	ADP
admet-28	59	9	the	the	DET
admet-28	59	10	fluorescence	fluorescence	NOUN
admet-28	59	11	measurements	measurement	NOUN
admet-28	59	12	at	at	ADP
admet-28	59	13	different	different	ADJ
admet-28	59	14	temperatures	temperature	NOUN
admet-28	59	15	.	.	PUNCT
admet-28	60	1	competitive	competitive	ADJ
admet-28	60	2	binding	binding	ADJ
admet-28	60	3	experiments	experiment	NOUN
admet-28	60	4	,	,	PUNCT
admet-28	60	5	using	use	VERB
admet-28	60	6	specific	specific	ADJ
admet-28	60	7	binding	bind	VERB
admet-28	60	8	site	site	NOUN
admet-28	60	9	probes	probe	NOUN
admet-28	60	10	(	(	PUNCT
admet-28	60	11	warfarin	warfarin	NOUN
admet-28	60	12	and	and	CCONJ
admet-28	60	13	ibuprofen	ibuprofen	NOUN
admet-28	60	14	)	)	PUNCT
admet-28	60	15	,	,	PUNCT
admet-28	60	16	revealed	reveal	VERB
admet-28	60	17	the	the	DET
admet-28	60	18	specific	specific	ADJ
admet-28	60	19	sites	site	NOUN
admet-28	60	20	of	of	ADP
admet-28	60	21	comp	comp	NOUN
admet-28	60	22	.	.	PUNCT
admet-28	61	1	1	1	NUM
admet-28	61	2	and	and	CCONJ
admet-28	61	3	comp	comp	NOUN
admet-28	61	4	.	.	PUNCT
admet-28	62	1	2	2	NUM
admet-28	62	2	binding	bind	VERB
admet-28	62	3	to	to	ADP
admet-28	62	4	hsa	hsa	PROPN
admet-28	62	5	.	.	PUNCT
admet-28	63	1	along	along	ADP
admet-28	63	2	with	with	ADP
admet-28	63	3	this	this	PRON
admet-28	63	4	,	,	PUNCT
admet-28	63	5	the	the	DET
admet-28	63	6	possibility	possibility	NOUN
admet-28	63	7	of	of	ADP
admet-28	63	8	resonance	resonance	NOUN
admet-28	63	9	energy	energy	NOUN
admet-28	63	10	transfer	transfer	NOUN
admet-28	63	11	between	between	ADP
admet-28	63	12	hsa	hsa	PROPN
admet-28	63	13	as	as	ADP
admet-28	63	14	a	a	DET
admet-28	63	15	donor	donor	NOUN
admet-28	63	16	,	,	PUNCT
admet-28	63	17	and	and	CCONJ
admet-28	63	18	comp	comp	NOUN
admet-28	63	19	.	.	PUNCT
admet-28	64	1	1	1	NUM
admet-28	64	2	as	as	SCONJ
admet-28	64	3	an	an	DET
admet-28	64	4	acceptor	acceptor	NOUN
admet-28	64	5	of	of	ADP
admet-28	64	6	electron	electron	NOUN
admet-28	64	7	excitation	excitation	NOUN
admet-28	64	8	were	be	AUX
admet-28	64	9	examined	examine	VERB
admet-28	64	10	according	accord	VERB
admet-28	64	11	to	to	ADP
admet-28	64	12	the	the	DET
admet-28	64	13	förster	förster	NOUN
admet-28	64	14	’s	’s	PART
admet-28	64	15	resonance	resonance	NOUN
admet-28	64	16	energy	energy	NOUN
admet-28	64	17	transfer	transfer	NOUN
admet-28	64	18	(	(	PUNCT
admet-28	64	19	fret	fret	NOUN
admet-28	64	20	)	)	PUNCT
admet-28	64	21	theory	theory	NOUN
admet-28	64	22	[	[	X
admet-28	64	23	15,16	15,16	NUM
admet-28	64	24	]	]	PUNCT
admet-28	64	25	.	.	PUNCT
admet-28	65	1	binding	bind	VERB
admet-28	65	2	of	of	ADP
admet-28	65	3	both	both	DET
admet-28	65	4	compounds	compound	NOUN
admet-28	65	5	to	to	ADP
admet-28	65	6	hsa	hsa	PROPN
admet-28	65	7	was	be	AUX
admet-28	65	8	also	also	ADV
admet-28	65	9	studied	study	VERB
admet-28	65	10	by	by	ADP
admet-28	65	11	molecular	molecular	ADJ
admet-28	65	12	docking	docking	NOUN
admet-28	65	13	,	,	PUNCT
admet-28	65	14	and	and	CCONJ
admet-28	65	15	the	the	DET
admet-28	65	16	stability	stability	NOUN
admet-28	65	17	of	of	ADP
admet-28	65	18	comp	comp	NOUN
admet-28	65	19	.	.	PUNCT
admet-28	66	1	1	1	NUM
admet-28	66	2	/	/	SYM
admet-28	66	3	hsa	hsa	PROPN
admet-28	66	4	complex	complex	NOUN
admet-28	66	5	evaluated	evaluate	VERB
admet-28	66	6	by	by	ADP
admet-28	66	7	molecular	molecular	ADJ
admet-28	66	8	dynamics	dynamic	NOUN
admet-28	66	9	simulations	simulation	NOUN
admet-28	66	10	.	.	PUNCT
admet-28	67	1	2	2	X
admet-28	67	2	.	.	X
admet-28	67	3	experimental	experimental	ADJ
admet-28	67	4	2.1	2.1	NUM
admet-28	67	5	.	.	PUNCT
admet-28	67	6	reagents	reagent	NOUN
admet-28	67	7	and	and	CCONJ
admet-28	67	8	apparatus	apparatus	NOUN
admet-28	67	9	human	human	ADJ
admet-28	67	10	serum	serum	NOUN
admet-28	67	11	albumin	albumin	PROPN
admet-28	67	12	(	(	PUNCT
admet-28	67	13	hsa	hsa	PROPN
admet-28	67	14	)	)	PUNCT
admet-28	67	15	was	be	AUX
admet-28	67	16	kindly	kindly	ADV
admet-28	67	17	provided	provide	VERB
admet-28	67	18	by	by	ADP
admet-28	67	19	blood	blood	NOUN
admet-28	67	20	transfusion	transfusion	PROPN
admet-28	67	21	institute	institute	PROPN
admet-28	67	22	of	of	ADP
admet-28	67	23	serbia	serbia	PROPN
admet-28	67	24	and	and	CCONJ
admet-28	67	25	purified	purify	VERB
admet-28	67	26	according	accord	VERB
admet-28	67	27	to	to	ADP
admet-28	67	28	standard	standard	ADJ
admet-28	67	29	procedure	procedure	NOUN
admet-28	67	30	[	[	X
admet-28	67	31	17	17	NUM
admet-28	67	32	]	]	PUNCT
admet-28	67	33	.	.	PUNCT
admet-28	68	1	the	the	DET
admet-28	68	2	concentration	concentration	NOUN
admet-28	68	3	of	of	ADP
admet-28	68	4	purified	purified	ADJ
admet-28	68	5	hsa	hsa	NOUN
admet-28	68	6	was	be	AUX
admet-28	68	7	determined	determine	VERB
admet-28	68	8	using	use	VERB
admet-28	68	9	bradford	bradford	PROPN
admet-28	68	10	method	method	NOUN
admet-28	68	11	[	[	X
admet-28	68	12	18	18	NUM
admet-28	68	13	]	]	PUNCT
admet-28	68	14	.	.	PUNCT
admet-28	69	1	admet	admet	PROPN
admet-28	69	2	&	&	CCONJ
admet-28	69	3	dmpk	dmpk	PROPN
admet-28	69	4	2(2	2(2	NUM
admet-28	69	5	)	)	PUNCT
admet-28	69	6	(	(	PUNCT
admet-28	69	7	2014	2014	NUM
admet-28	69	8	)	)	PUNCT
admet-28	69	9	126	126	NUM
admet-28	69	10	-	-	SYM
admet-28	69	11	142	142	NUM
admet-28	69	12	hsa	hsa	PROPN
admet-28	69	13	binding	bind	VERB
admet-28	69	14	doi	doi	NOUN
admet-28	69	15	:	:	PUNCT
admet-28	69	16	10.5599	10.5599	NUM
admet-28	69	17	/	/	SYM
admet-28	69	18	admet.2.2.28	admet.2.2.28	PROPN
admet-28	69	19	129	129	NUM
admet-28	69	20	phosphate	phosphate	ADJ
admet-28	69	21	buffered	buffer	VERB
admet-28	69	22	saline	saline	NOUN
admet-28	69	23	(	(	PUNCT
admet-28	69	24	pbs	pbs	PROPN
admet-28	69	25	)	)	PUNCT
admet-28	69	26	was	be	AUX
admet-28	69	27	used	use	VERB
admet-28	69	28	to	to	PART
admet-28	69	29	maintain	maintain	VERB
admet-28	69	30	the	the	DET
admet-28	69	31	physiological	physiological	ADJ
admet-28	69	32	ph	ph	NOUN
admet-28	69	33	value	value	NOUN
admet-28	69	34	(	(	PUNCT
admet-28	69	35	ph	ph	NOUN
admet-28	69	36	7.34	7.34	NUM
admet-28	69	37	)	)	PUNCT
admet-28	69	38	.	.	PUNCT
admet-28	70	1	potassium	potassium	NOUN
admet-28	70	2	dihydrogen	dihydrogen	NOUN
admet-28	70	3	phosphate	phosphate	NOUN
admet-28	70	4	,	,	PUNCT
admet-28	70	5	disodium	disodium	NOUN
admet-28	70	6	hydrogen	hydrogen	NOUN
admet-28	70	7	phosphate	phosphate	NOUN
admet-28	70	8	,	,	PUNCT
admet-28	70	9	sodium	sodium	NOUN
admet-28	70	10	chloride	chloride	NOUN
admet-28	70	11	,	,	PUNCT
admet-28	70	12	and	and	CCONJ
admet-28	70	13	potassium	potassium	NOUN
admet-28	70	14	chloride	chloride	NOUN
admet-28	70	15	used	use	VERB
admet-28	70	16	for	for	ADP
admet-28	70	17	pbs	pbs	PROPN
admet-28	70	18	preparation	preparation	NOUN
admet-28	70	19	,	,	PUNCT
admet-28	70	20	as	as	ADV
admet-28	70	21	well	well	ADV
admet-28	70	22	as	as	ADP
admet-28	70	23	warfarin	warfarin	NOUN
admet-28	70	24	and	and	CCONJ
admet-28	70	25	ibuprofen	ibuprofen	NOUN
admet-28	70	26	,	,	PUNCT
admet-28	70	27	were	be	AUX
admet-28	70	28	purchased	purchase	VERB
admet-28	70	29	from	from	ADP
admet-28	70	30	sigma	sigma	PROPN
admet-28	70	31	-	-	PUNCT
admet-28	70	32	aldrich	aldrich	NOUN
admet-28	70	33	.	.	PUNCT
admet-28	71	1	all	all	DET
admet-28	71	2	solutions	solution	NOUN
admet-28	71	3	were	be	AUX
admet-28	71	4	prepared	prepare	VERB
admet-28	71	5	with	with	ADP
admet-28	71	6	millipore	millipore	PROPN
admet-28	71	7	water	water	PROPN
admet-28	71	8	.	.	PUNCT
admet-28	72	1	fluorescence	fluorescence	PROPN
admet-28	72	2	spectra	spectra	PROPN
admet-28	72	3	were	be	AUX
admet-28	72	4	recorded	record	VERB
admet-28	72	5	on	on	ADP
admet-28	72	6	horiba	horiba	PROPN
admet-28	72	7	jobin	jobin	PROPN
admet-28	72	8	yvon	yvon	PROPN
admet-28	72	9	fluoromax-4	fluoromax-4	PROPN
admet-28	72	10	spectrometer	spectrometer	NOUN
admet-28	72	11	,	,	PUNCT
admet-28	72	12	equipped	equip	VERB
admet-28	72	13	with	with	ADP
admet-28	72	14	peltier	peltier	ADJ
admet-28	72	15	element	element	NOUN
admet-28	72	16	and	and	CCONJ
admet-28	72	17	magnetic	magnetic	ADJ
admet-28	72	18	stirrer	stirrer	NOUN
admet-28	72	19	for	for	ADP
admet-28	72	20	cuvette	cuvette	NOUN
admet-28	72	21	,	,	PUNCT
admet-28	72	22	using	use	VERB
admet-28	72	23	quartz	quartz	NOUN
admet-28	72	24	cell	cell	NOUN
admet-28	72	25	with	with	ADP
admet-28	72	26	1	1	NUM
admet-28	72	27	cm	cm	NOUN
admet-28	72	28	path	path	NOUN
admet-28	72	29	length	length	NOUN
admet-28	72	30	and	and	CCONJ
admet-28	72	31	4	4	NUM
admet-28	72	32	ml	ml	NOUN
admet-28	72	33	volume	volume	NOUN
admet-28	72	34	.	.	PUNCT
admet-28	73	1	an	an	DET
admet-28	73	2	excitation	excitation	NOUN
admet-28	73	3	wavelength	wavelength	NOUN
admet-28	73	4	was	be	AUX
admet-28	73	5	280	280	NUM
admet-28	73	6	nm	nm	NOUN
admet-28	73	7	,	,	PUNCT
admet-28	73	8	with	with	ADP
admet-28	73	9	5	5	NUM
admet-28	73	10	nm	nm	ADJ
admet-28	73	11	slits	slit	NOUN
admet-28	73	12	;	;	PUNCT
admet-28	73	13	emission	emission	NOUN
admet-28	73	14	spectra	spectra	NOUN
admet-28	73	15	were	be	AUX
admet-28	73	16	recorded	record	VERB
admet-28	73	17	in	in	ADP
admet-28	73	18	300	300	NUM
admet-28	73	19	-	-	SYM
admet-28	73	20	450	450	NUM
admet-28	73	21	nm	nm	ADJ
admet-28	73	22	wavelength	wavelength	NOUN
admet-28	73	23	range	range	NOUN
admet-28	73	24	,	,	PUNCT
admet-28	73	25	with	with	ADP
admet-28	73	26	5	5	NUM
admet-28	73	27	nm	nm	ADJ
admet-28	73	28	slits	slit	NOUN
admet-28	73	29	,	,	PUNCT
admet-28	73	30	and	and	CCONJ
admet-28	73	31	0.1	0.1	NUM
admet-28	73	32	s	s	NOUN
admet-28	73	33	integration	integration	NOUN
admet-28	73	34	time	time	NOUN
admet-28	73	35	.	.	PUNCT
admet-28	74	1	background	background	NOUN
admet-28	74	2	pbs	pbs	PROPN
admet-28	74	3	signal	signal	PROPN
admet-28	74	4	was	be	AUX
admet-28	74	5	subtracted	subtract	VERB
admet-28	74	6	from	from	ADP
admet-28	74	7	the	the	DET
admet-28	74	8	each	each	DET
admet-28	74	9	spectrum	spectrum	NOUN
admet-28	74	10	.	.	PUNCT
admet-28	75	1	uv	uv	NOUN
admet-28	75	2	/	/	SYM
admet-28	75	3	vis	vis	X
admet-28	75	4	spectra	spectra	NOUN
admet-28	75	5	were	be	AUX
admet-28	75	6	recorded	record	VERB
admet-28	75	7	on	on	ADP
admet-28	75	8	gbc	gbc	PROPN
admet-28	75	9	cintra	cintra	X
admet-28	75	10	6	6	NUM
admet-28	75	11	spectrophotometer	spectrophotometer	NOUN
admet-28	75	12	(	(	PUNCT
admet-28	75	13	gbc	gbc	PROPN
admet-28	75	14	dandenong	dandenong	PROPN
admet-28	75	15	,	,	PUNCT
admet-28	75	16	australia	australia	PROPN
admet-28	75	17	)	)	PUNCT
admet-28	75	18	using	use	VERB
admet-28	75	19	quartz	quartz	NOUN
admet-28	75	20	cell	cell	NOUN
admet-28	75	21	with	with	ADP
admet-28	75	22	1	1	NUM
admet-28	75	23	cm	cm	NOUN
admet-28	75	24	path	path	NOUN
admet-28	75	25	length	length	NOUN
admet-28	75	26	and	and	CCONJ
admet-28	75	27	4	4	NUM
admet-28	75	28	ml	ml	NOUN
admet-28	75	29	volume	volume	NOUN
admet-28	75	30	.	.	PUNCT
admet-28	76	1	all	all	DET
admet-28	76	2	spectra	spectra	PROPN
admet-28	76	3	were	be	AUX
admet-28	76	4	recorded	record	VERB
admet-28	76	5	against	against	ADP
admet-28	76	6	the	the	DET
admet-28	76	7	corresponding	corresponding	ADJ
admet-28	76	8	blank	blank	PROPN
admet-28	76	9	(	(	PUNCT
admet-28	76	10	1	1	NUM
admet-28	76	11	pbs	pbs	PROPN
admet-28	76	12	)	)	PUNCT
admet-28	76	13	in	in	ADP
admet-28	76	14	the	the	DET
admet-28	76	15	220	220	NUM
admet-28	76	16	-	-	SYM
admet-28	76	17	450	450	NUM
admet-28	76	18	nm	nm	ADJ
admet-28	76	19	wavelength	wavelength	NOUN
admet-28	76	20	range	range	NOUN
admet-28	76	21	,	,	PUNCT
admet-28	76	22	with	with	ADP
admet-28	76	23	500	500	NUM
admet-28	76	24	nm	nm	NOUN
admet-28	76	25	/	/	SYM
admet-28	76	26	min	min	NOUN
admet-28	76	27	scan	scan	ADJ
admet-28	76	28	speed	speed	NOUN
admet-28	76	29	.	.	PUNCT
admet-28	77	1	2.2	2.2	NUM
admet-28	77	2	.	.	PUNCT
admet-28	77	3	methods	method	NOUN
admet-28	77	4	2.2.1	2.2.1	NUM
admet-28	77	5	.	.	PUNCT
admet-28	77	6	spectroscopy	spectroscopy	VERB
admet-28	77	7	stock	stock	NOUN
admet-28	77	8	solutions	solution	NOUN
admet-28	77	9	of	of	ADP
admet-28	77	10	hsa	hsa	PROPN
admet-28	77	11	(	(	PUNCT
admet-28	77	12	c	c	NOUN
admet-28	77	13	=	=	SYM
admet-28	77	14	1.08	1.08	NUM
admet-28	77	15			NOUN
admet-28	77	16	10	10	NUM
admet-28	77	17	-	-	SYM
admet-28	77	18	3	3	NUM
admet-28	77	19	m	m	NOUN
admet-28	77	20	)	)	PUNCT
admet-28	77	21	,	,	PUNCT
admet-28	77	22	comp	comp	NOUN
admet-28	77	23	.	.	PUNCT
admet-28	77	24	1	1	NUM
admet-28	78	1	(	(	PUNCT
admet-28	78	2	c1	c1	NOUN
admet-28	78	3	=	=	NOUN
admet-28	78	4	1.12	1.12	NUM
admet-28	78	5			NOUN
admet-28	78	6	10	10	NUM
admet-28	78	7	-	-	SYM
admet-28	78	8	3	3	NUM
admet-28	78	9	m	m	NOUN
admet-28	78	10	)	)	PUNCT
admet-28	78	11	,	,	PUNCT
admet-28	78	12	comp	comp	NOUN
admet-28	78	13	.	.	PUNCT
admet-28	78	14	2	2	NUM
admet-28	78	15	(	(	PUNCT
admet-28	78	16	c2	c2	NOUN
admet-28	78	17	=	=	PROPN
admet-28	78	18	1.62	1.62	NUM
admet-28	78	19			NOUN
admet-28	78	20	10	10	NUM
admet-28	78	21	-	-	SYM
admet-28	78	22	3	3	NUM
admet-28	78	23	m	m	NOUN
admet-28	78	24	)	)	PUNCT
admet-28	78	25	warfarin	warfarin	NOUN
admet-28	78	26	(	(	PUNCT
admet-28	78	27	c	c	NOUN
admet-28	78	28	=	=	SYM
admet-28	78	29	4.38	4.38	NUM
admet-28	78	30			NOUN
admet-28	78	31	10	10	NUM
admet-28	78	32	-	-	SYM
admet-28	78	33	4	4	NUM
admet-28	78	34	m	m	NOUN
admet-28	78	35	)	)	PUNCT
admet-28	78	36	,	,	PUNCT
admet-28	78	37	and	and	CCONJ
admet-28	78	38	ibuprofen	ibuprofen	NOUN
admet-28	78	39	(	(	PUNCT
admet-28	78	40	c	c	NOUN
admet-28	78	41	=	=	SYM
admet-28	78	42	4.61	4.61	NUM
admet-28	78	43			NOUN
admet-28	78	44	10	10	NUM
admet-28	78	45	-	-	SYM
admet-28	78	46	4	4	NUM
admet-28	78	47	m	m	NOUN
admet-28	78	48	)	)	PUNCT
admet-28	78	49	were	be	AUX
admet-28	78	50	prepared	prepare	VERB
admet-28	78	51	in	in	ADP
admet-28	78	52	1	1	NUM
admet-28	78	53	pbs	pbs	PROPN
admet-28	78	54	,	,	PUNCT
admet-28	78	55	ph	ph	NOUN
admet-28	78	56	7.34	7.34	NUM
admet-28	78	57	,	,	PUNCT
admet-28	78	58	and	and	CCONJ
admet-28	78	59	kept	keep	VERB
admet-28	78	60	in	in	ADP
admet-28	78	61	refrigerator	refrigerator	NOUN
admet-28	78	62	.	.	PUNCT
admet-28	79	1	for	for	ADP
admet-28	79	2	comp	comp	NOUN
admet-28	79	3	.	.	PUNCT
admet-28	79	4	1	1	NUM
admet-28	79	5	and	and	CCONJ
admet-28	79	6	2	2	NUM
admet-28	79	7	/hsa	/hsa	NOUN
admet-28	79	8	interaction	interaction	NOUN
admet-28	79	9	studies	study	NOUN
admet-28	79	10	,	,	PUNCT
admet-28	79	11	hsa	hsa	PROPN
admet-28	79	12	solution	solution	NOUN
admet-28	79	13	was	be	AUX
admet-28	79	14	freshly	freshly	ADV
admet-28	79	15	prepared	prepare	VERB
admet-28	79	16	from	from	ADP
admet-28	79	17	the	the	DET
admet-28	79	18	stock	stock	NOUN
admet-28	79	19	,	,	PUNCT
admet-28	79	20	by	by	ADP
admet-28	79	21	dilution	dilution	NOUN
admet-28	79	22	with	with	ADP
admet-28	79	23	a	a	DET
admet-28	79	24	buffer	buffer	NOUN
admet-28	79	25	(	(	PUNCT
admet-28	79	26	hsa	hsa	PROPN
admet-28	79	27	concentration	concentration	NOUN
admet-28	79	28	was	be	AUX
admet-28	79	29	kept	keep	VERB
admet-28	79	30	constant	constant	ADJ
admet-28	79	31	,	,	PUNCT
admet-28	79	32	c	c	NOUN
admet-28	79	33	=	=	SYM
admet-28	79	34	1	1	NUM
admet-28	79	35			NOUN
admet-28	79	36	10	10	NUM
admet-28	79	37	-	-	SYM
admet-28	79	38	6	6	NUM
admet-28	79	39	m	m	NOUN
admet-28	79	40	)	)	PUNCT
admet-28	79	41	,	,	PUNCT
admet-28	79	42	and	and	CCONJ
admet-28	79	43	titrated	titrate	VERB
admet-28	79	44	with	with	ADP
admet-28	79	45	comp	comp	NOUN
admet-28	79	46	.	.	PUNCT
admet-28	80	1	1	1	NUM
admet-28	80	2	or	or	CCONJ
admet-28	80	3	2	2	NUM
admet-28	80	4	stock	stock	NOUN
admet-28	80	5	solution	solution	NOUN
admet-28	80	6	to	to	PART
admet-28	80	7	avoid	avoid	VERB
admet-28	80	8	large	large	ADJ
admet-28	80	9	sample	sample	NOUN
admet-28	80	10	dilution	dilution	NOUN
admet-28	80	11	.	.	PUNCT
admet-28	81	1	upon	upon	SCONJ
admet-28	81	2	addition	addition	NOUN
admet-28	81	3	of	of	ADP
admet-28	81	4	each	each	DET
admet-28	81	5	aliquot	aliquot	NOUN
admet-28	81	6	,	,	PUNCT
admet-28	81	7	system	system	NOUN
admet-28	81	8	was	be	AUX
admet-28	81	9	stirred	stir	VERB
admet-28	81	10	and	and	CCONJ
admet-28	81	11	left	leave	VERB
admet-28	81	12	to	to	PART
admet-28	81	13	equilibrate	equilibrate	VERB
admet-28	81	14	for	for	ADP
admet-28	81	15	15	15	NUM
admet-28	81	16	min	min	NOUN
admet-28	81	17	,	,	PUNCT
admet-28	81	18	before	before	ADP
admet-28	81	19	uv	uv	NOUN
admet-28	81	20	/	/	SYM
admet-28	81	21	vis	vis	X
admet-28	81	22	absorption	absorption	NOUN
admet-28	81	23	and	and	CCONJ
admet-28	81	24	fluorescence	fluorescence	NOUN
admet-28	81	25	emission	emission	NOUN
admet-28	81	26	spectra	spectra	ADJ
admet-28	81	27	recording	recording	NOUN
admet-28	81	28	.	.	PUNCT
admet-28	82	1	for	for	ADP
admet-28	82	2	competitive	competitive	ADJ
admet-28	82	3	binding	binding	ADJ
admet-28	82	4	experiments	experiment	NOUN
admet-28	82	5	,	,	PUNCT
admet-28	82	6	solution	solution	NOUN
admet-28	82	7	containing	contain	VERB
admet-28	82	8	hsa	hsa	PROPN
admet-28	82	9	(	(	PUNCT
admet-28	82	10	c	c	NOUN
admet-28	82	11	=	=	SYM
admet-28	82	12	1	1	NUM
admet-28	82	13			NOUN
admet-28	82	14	10	10	NUM
admet-28	82	15	-	-	SYM
admet-28	82	16	6	6	NUM
admet-28	82	17	m	m	NOUN
admet-28	82	18	)	)	PUNCT
admet-28	82	19	and	and	CCONJ
admet-28	82	20	binding	bind	VERB
admet-28	82	21	site	site	NOUN
admet-28	82	22	probe	probe	NOUN
admet-28	82	23	(	(	PUNCT
admet-28	82	24	warfarin	warfarin	NOUN
admet-28	82	25	or	or	CCONJ
admet-28	82	26	ibuprofen	ibuprofen	NOUN
admet-28	82	27	,	,	PUNCT
admet-28	82	28	c	c	NOUN
admet-28	82	29	=	=	SYM
admet-28	82	30	1	1	NUM
admet-28	82	31			NOUN
admet-28	82	32	10	10	NUM
admet-28	82	33	-	-	SYM
admet-28	82	34	6	6	NUM
admet-28	82	35	m	m	NOUN
admet-28	82	36	)	)	PUNCT
admet-28	82	37	was	be	AUX
admet-28	82	38	stirred	stir	VERB
admet-28	82	39	and	and	CCONJ
admet-28	82	40	left	leave	VERB
admet-28	82	41	to	to	PART
admet-28	82	42	equilibrate	equilibrate	VERB
admet-28	82	43	for	for	ADP
admet-28	82	44	1	1	NUM
admet-28	82	45	h.	h.	NOUN
admet-28	82	46	afterwards	afterwards	ADV
admet-28	82	47	,	,	PUNCT
admet-28	82	48	titration	titration	NOUN
admet-28	82	49	with	with	ADP
admet-28	82	50	compounds	compound	NOUN
admet-28	82	51	1	1	NUM
admet-28	82	52	or	or	CCONJ
admet-28	82	53	2	2	NUM
admet-28	82	54	was	be	AUX
admet-28	82	55	performed	perform	VERB
admet-28	82	56	as	as	ADP
admet-28	82	57	described	describe	VERB
admet-28	82	58	above	above	ADV
admet-28	82	59	.	.	PUNCT
admet-28	83	1	all	all	DET
admet-28	83	2	experiments	experiment	NOUN
admet-28	83	3	were	be	AUX
admet-28	83	4	performed	perform	VERB
admet-28	83	5	in	in	ADP
admet-28	83	6	triplicates	triplicate	NOUN
admet-28	83	7	and	and	CCONJ
admet-28	83	8	values	value	NOUN
admet-28	83	9	reported	report	VERB
admet-28	83	10	as	as	ADP
admet-28	83	11	mean	mean	ADJ
admet-28	83	12	values	value	NOUN
admet-28	83	13	.	.	PUNCT
admet-28	84	1	in	in	ADP
admet-28	84	2	order	order	NOUN
admet-28	84	3	to	to	PART
admet-28	84	4	remove	remove	VERB
admet-28	84	5	the	the	DET
admet-28	84	6	inner	inner	ADJ
admet-28	84	7	filter	filter	NOUN
admet-28	84	8	effect	effect	NOUN
admet-28	84	9	originating	originate	VERB
admet-28	84	10	from	from	ADP
admet-28	84	11	hsa	hsa	PROPN
admet-28	84	12	and	and	CCONJ
admet-28	84	13	studied	study	VERB
admet-28	84	14	compounds	compound	NOUN
admet-28	84	15	,	,	PUNCT
admet-28	84	16	the	the	DET
admet-28	84	17	absorbancies	absorbancie	NOUN
admet-28	84	18	were	be	AUX
admet-28	84	19	measured	measure	VERB
admet-28	84	20	at	at	ADP
admet-28	84	21	the	the	DET
admet-28	84	22	excitation	excitation	NOUN
admet-28	84	23	(	(	PUNCT
admet-28	84	24	280	280	NUM
admet-28	84	25	nm	nm	NOUN
admet-28	84	26	)	)	PUNCT
admet-28	84	27	and	and	CCONJ
admet-28	84	28	emission	emission	NOUN
admet-28	84	29	(	(	PUNCT
admet-28	84	30	340	340	NUM
admet-28	84	31	nm	nm	NOUN
admet-28	84	32	)	)	PUNCT
admet-28	84	33	wavelengths	wavelength	NOUN
admet-28	84	34	,	,	PUNCT
admet-28	84	35	and	and	CCONJ
admet-28	84	36	fluorescence	fluorescence	NOUN
admet-28	84	37	intensities	intensity	NOUN
admet-28	84	38	corrected	correct	VERB
admet-28	84	39	according	accord	VERB
admet-28	84	40	to	to	ADP
admet-28	84	41	lakowicz	lakowicz	ADJ
admet-28	84	42	equation	equation	NOUN
admet-28	84	43	(	(	PUNCT
admet-28	84	44	1	1	NUM
admet-28	84	45	):	):	PUNCT
admet-28	84	46			ADV
admet-28	85	1			CCONJ
admet-28	85	2	ex	ex	VERB
admet-28	85	3	em	em	PROPN
admet-28	85	4	2	2	NUM
admet-28	85	5	corr	corr	PROPN
admet-28	85	6	obs10	obs10	NOUN
admet-28	85	7	a	a	DET
admet-28	85	8	a	a	PRON
admet-28	85	9	f	f	X
admet-28	85	10	f	f	X
admet-28	85	11	(	(	PUNCT
admet-28	85	12	1	1	NUM
admet-28	85	13	)	)	PUNCT
admet-28	85	14	where	where	SCONJ
admet-28	85	15	fcorr	fcorr	NOUN
admet-28	85	16	and	and	CCONJ
admet-28	85	17	fobs	fobs	PROPN
admet-28	85	18	are	be	AUX
admet-28	85	19	corrected	correct	VERB
admet-28	85	20	and	and	CCONJ
admet-28	85	21	observed	observe	VERB
admet-28	85	22	fluorescence	fluorescence	NOUN
admet-28	85	23	intensities	intensity	NOUN
admet-28	85	24	,	,	PUNCT
admet-28	85	25	and	and	CCONJ
admet-28	85	26	aex	aex	PROPN
admet-28	85	27	and	and	CCONJ
admet-28	85	28	aem	aem	PROPN
admet-28	85	29	are	be	AUX
admet-28	85	30	absorbancies	absorbancie	NOUN
admet-28	85	31	at	at	ADP
admet-28	85	32	the	the	DET
admet-28	85	33	excitation	excitation	NOUN
admet-28	85	34	and	and	CCONJ
admet-28	85	35	emission	emission	NOUN
admet-28	85	36	wavelengths	wavelength	NOUN
admet-28	85	37	,	,	PUNCT
admet-28	85	38	respectively	respectively	ADV
admet-28	85	39	[	[	X
admet-28	85	40	19	19	NUM
admet-28	85	41	]	]	PUNCT
admet-28	85	42	.	.	PUNCT
admet-28	86	1	corrected	correct	VERB
admet-28	86	2	fluorescence	fluorescence	NOUN
admet-28	86	3	intensities	intensity	NOUN
admet-28	86	4	were	be	AUX
admet-28	86	5	used	use	VERB
admet-28	86	6	for	for	ADP
admet-28	86	7	further	further	ADJ
admet-28	86	8	calculations	calculation	NOUN
admet-28	86	9	.	.	PUNCT
admet-28	87	1	1h	1h	NUM
admet-28	87	2	and	and	CCONJ
admet-28	87	3	13c	13c	NOUN
admet-28	87	4	nmr	nmr	NOUN
admet-28	87	5	spectra	spectra	NOUN
admet-28	87	6	were	be	AUX
admet-28	87	7	recorded	record	VERB
admet-28	87	8	in	in	ADP
admet-28	87	9	cdcl3	cdcl3	NOUN
admet-28	87	10	on	on	ADP
admet-28	87	11	a	a	DET
admet-28	87	12	bruker	bruker	ADJ
admet-28	87	13	avance	avance	NOUN
admet-28	87	14	500/125	500/125	PROPN
admet-28	87	15	mhz	mhz	NOUN
admet-28	87	16	instrument	instrument	NOUN
admet-28	87	17	.	.	PUNCT
admet-28	88	1	esi	esi	PROPN
admet-28	88	2	-	-	PROPN
admet-28	88	3	ms	ms	PROPN
admet-28	88	4	spectra	spectra	PROPN
admet-28	88	5	were	be	AUX
admet-28	88	6	recorded	record	VERB
admet-28	88	7	on	on	ADP
admet-28	88	8	agilent	agilent	PROPN
admet-28	88	9	technologies	technology	NOUN
admet-28	88	10	6210	6210	NUM
admet-28	88	11	-	-	SYM
admet-28	88	12	1210	1210	NUM
admet-28	88	13	tof	tof	PROPN
admet-28	88	14	-	-	PUNCT
admet-28	88	15	lc	lc	PROPN
admet-28	88	16	-	-	PUNCT
admet-28	88	17	esi	esi	NOUN
admet-28	88	18	-	-	NOUN
admet-28	88	19	hr	hr	NOUN
admet-28	88	20	/	/	SYM
admet-28	88	21	ms	ms	NOUN
admet-28	88	22	instrument	instrument	NOUN
admet-28	88	23	in	in	ADP
admet-28	88	24	positive	positive	ADJ
admet-28	88	25	mode	mode	NOUN
admet-28	88	26	.	.	PUNCT
admet-28	89	1	2.2.2	2.2.2	X
admet-28	89	2	.	.	X
admet-28	89	3	synthesis	synthesis	VERB
admet-28	89	4	the	the	DET
admet-28	89	5	preparation	preparation	NOUN
admet-28	89	6	and	and	CCONJ
admet-28	89	7	characterization	characterization	NOUN
admet-28	89	8	of	of	ADP
admet-28	89	9	the	the	DET
admet-28	89	10	comp	comp	NOUN
admet-28	89	11	.	.	PUNCT
admet-28	90	1	1	1	NUM
admet-28	90	2	were	be	AUX
admet-28	90	3	described	describe	VERB
admet-28	90	4	earlier	early	ADV
admet-28	90	5	[	[	X
admet-28	90	6	1	1	NUM
admet-28	90	7	]	]	PUNCT
admet-28	90	8	.	.	PUNCT
admet-28	91	1	compound	compound	NOUN
admet-28	91	2	2	2	NUM
admet-28	91	3	was	be	AUX
admet-28	91	4	obtained	obtain	VERB
admet-28	91	5	by	by	ADP
admet-28	91	6	mixing	mix	VERB
admet-28	91	7	180	180	NUM
admet-28	91	8	mg	mg	NOUN
admet-28	91	9	(	(	PUNCT
admet-28	91	10	7.75	7.75	NUM
admet-28	91	11	×	×	NOUN
admet-28	91	12	10	10	NUM
admet-28	91	13	-	-	SYM
admet-28	91	14	4	4	NUM
admet-28	91	15	mol	mol	NOUN
admet-28	91	16	)	)	PUNCT
admet-28	91	17	of	of	ADP
admet-28	91	18	(	(	PUNCT
admet-28	91	19	e)-4-(4	e)-4-(4	ADJ
admet-28	91	20	-	-	PUNCT
admet-28	91	21	tert	tert	NOUN
admet-28	91	22	-	-	PUNCT
admet-28	91	23	bu	bu	ADP
admet-28	91	24	-	-	PUNCT
admet-28	91	25	phenyl)-4	phenyl)-4	ADJ
admet-28	91	26	-	-	PUNCT
admet-28	91	27	oxobut-2	oxobut-2	NUM
admet-28	91	28	-	-	PUNCT
admet-28	91	29	enoic	enoic	ADJ
admet-28	91	30	acid	acid	NOUN
admet-28	91	31	and	and	CCONJ
admet-28	91	32	1.3	1.3	NUM
admet-28	91	33	mol	mol	ADP
admet-28	91	34	equivalents	equivalent	NOUN
admet-28	91	35	(	(	PUNCT
admet-28	91	36	107	107	NUM
admet-28	91	37	mg	mg	NOUN
admet-28	91	38	)	)	PUNCT
admet-28	91	39	of	of	ADP
admet-28	91	40	thioglycolic	thioglycolic	ADJ
admet-28	91	41	acid	acid	PROPN
admet-28	91	42	me	me	PROPN
admet-28	91	43	-	-	PUNCT
admet-28	91	44	ester	ester	NOUN
admet-28	91	45	during	during	ADP
admet-28	91	46	20	20	NUM
admet-28	91	47	h	h	NOUN
admet-28	91	48	in	in	ADP
admet-28	91	49	15	15	NUM
admet-28	91	50	ml	ml	NOUN
admet-28	91	51	of	of	ADP
admet-28	91	52	meoh	meoh	NOUN
admet-28	91	53	.	.	PUNCT
admet-28	92	1	the	the	DET
admet-28	92	2	volume	volume	NOUN
admet-28	92	3	of	of	ADP
admet-28	92	4	the	the	DET
admet-28	92	5	solvent	solvent	NOUN
admet-28	92	6	was	be	AUX
admet-28	92	7	then	then	ADV
admet-28	92	8	reduced	reduce	VERB
admet-28	92	9	to	to	ADP
admet-28	92	10	approx	approx	PROPN
admet-28	92	11	.	.	PUNCT
admet-28	93	1	1/8	1/8	NUM
admet-28	93	2	of	of	ADP
admet-28	93	3	the	the	DET
admet-28	93	4	initial	initial	NOUN
admet-28	93	5	,	,	PUNCT
admet-28	93	6	the	the	DET
admet-28	93	7	product	product	NOUN
admet-28	93	8	precipitated	precipitate	VERB
admet-28	93	9	with	with	ADP
admet-28	93	10	hexanes	hexane	NOUN
admet-28	93	11	/	/	SYM
admet-28	93	12	et2o	et2o	PROPN
admet-28	93	13	(	(	PUNCT
admet-28	93	14	approx	approx	PROPN
admet-28	93	15	.	.	PUNCT
admet-28	94	1	4	4	NUM
admet-28	94	2	:	:	SYM
admet-28	94	3	1	1	NUM
admet-28	94	4	;	;	PUNCT
admet-28	94	5	8	8	NUM
admet-28	94	6	ml	ml	NOUN
admet-28	94	7	)	)	PUNCT
admet-28	94	8	,	,	PUNCT
admet-28	94	9	and	and	CCONJ
admet-28	94	10	collected	collect	VERB
admet-28	94	11	by	by	ADP
admet-28	94	12	filtration	filtration	NOUN
admet-28	94	13	.	.	PUNCT
admet-28	95	1	crude	crude	ADJ
admet-28	95	2	product	product	NOUN
admet-28	95	3	was	be	AUX
admet-28	95	4	rinsed	rinse	VERB
admet-28	95	5	with	with	ADP
admet-28	95	6	small	small	ADJ
admet-28	95	7	amount	amount	NOUN
admet-28	95	8	of	of	ADP
admet-28	95	9	et2o	et2o	PROPN
admet-28	95	10	on	on	ADP
admet-28	95	11	the	the	DET
admet-28	95	12	funnel	funnel	NOUN
admet-28	95	13	,	,	PUNCT
admet-28	95	14	then	then	ADV
admet-28	95	15	dried	dry	VERB
admet-28	95	16	on	on	ADP
admet-28	95	17	air	air	NOUN
admet-28	95	18	.	.	PUNCT
admet-28	96	1	180	180	NUM
admet-28	96	2	mg	mg	NOUN
admet-28	96	3	of	of	ADP
admet-28	96	4	the	the	DET
admet-28	96	5	isolated	isolated	ADJ
admet-28	96	6	product	product	NOUN
admet-28	96	7	was	be	AUX
admet-28	96	8	obtained	obtain	VERB
admet-28	96	9	(	(	PUNCT
admet-28	96	10	69	69	NUM
admet-28	96	11	%	%	NOUN
admet-28	96	12	of	of	ADP
admet-28	96	13	the	the	DET
admet-28	96	14	theoretical	theoretical	ADJ
admet-28	96	15	yield	yield	NOUN
admet-28	96	16	)	)	PUNCT
admet-28	96	17	.	.	PUNCT
admet-28	97	1	product	product	NOUN
admet-28	97	2	is	be	AUX
admet-28	97	3	characterized	characterize	VERB
admet-28	97	4	by	by	ADP
admet-28	97	5	1h	1h	NUM
admet-28	97	6	and	and	CCONJ
admet-28	97	7	13c	13c	NOUN
admet-28	97	8	nmr	nmr	NOUN
admet-28	97	9	and	and	CCONJ
admet-28	97	10	lc	lc	PROPN
admet-28	97	11	/	/	SYM
admet-28	97	12	hr	hr	NOUN
admet-28	97	13	-	-	PUNCT
admet-28	97	14	ms	ms	NOUN
admet-28	97	15	,	,	PUNCT
admet-28	97	16	confirming	confirm	VERB
admet-28	97	17	>	>	X
admet-28	97	18	98	98	NUM
admet-28	97	19	%	%	NOUN
admet-28	97	20	purity	purity	NOUN
admet-28	97	21	.	.	PUNCT
admet-28	98	1	cvijetić	cvijetić	PROPN
admet-28	98	2	et.al	et.al	PROPN
admet-28	98	3	.	.	PUNCT
admet-28	99	1	admet	admet	PROPN
admet-28	99	2	&	&	CCONJ
admet-28	99	3	dmpk	dmpk	PROPN
admet-28	99	4	2(2	2(2	NUM
admet-28	99	5	)	)	PUNCT
admet-28	99	6	(	(	PUNCT
admet-28	99	7	2014	2014	NUM
admet-28	99	8	)	)	PUNCT
admet-28	99	9	126	126	NUM
admet-28	99	10	-	-	SYM
admet-28	99	11	142	142	NUM
admet-28	99	12	130	130	NUM
admet-28	99	13	(	(	PUNCT
admet-28	99	14	r	r	NOUN
admet-28	99	15	,	,	PUNCT
admet-28	99	16	s)-4-(4	s)-4-(4	NOUN
admet-28	99	17	-	-	PUNCT
admet-28	99	18	tert	tert	NOUN
admet-28	99	19	-	-	PUNCT
admet-28	99	20	bu	bu	ADP
admet-28	99	21	-	-	PUNCT
admet-28	99	22	phenyl)-2-[(2	phenyl)-2-[(2	NOUN
admet-28	99	23	-	-	PUNCT
admet-28	99	24	methoxy-2	methoxy-2	NUM
admet-28	99	25	-	-	PUNCT
admet-28	99	26	oxoethyl)sulfanyl]-4	oxoethyl)sulfanyl]-4	NOUN
admet-28	99	27	-	-	PUNCT
admet-28	99	28	oxobutanoic	oxobutanoic	ADJ
admet-28	99	29	acid	acid	NOUN
admet-28	99	30	,	,	PUNCT
admet-28	99	31	c17h22o5s	c17h22o5s	NOUN
admet-28	99	32	:	:	PUNCT
admet-28	99	33	1h	1h	NUM
admet-28	99	34	nmr	nmr	NOUN
admet-28	99	35	(	(	PUNCT
admet-28	99	36	500	500	NUM
admet-28	99	37	mhz	mhz	NOUN
admet-28	99	38	,	,	PUNCT
admet-28	99	39	cdcl3	cdcl3	NOUN
admet-28	99	40	)	)	PUNCT
admet-28	99	41			NUM
admet-28	99	42	9.04	9.04	NUM
admet-28	99	43	(	(	PUNCT
admet-28	99	44	br	br	PROPN
admet-28	99	45	.	.	PUNCT
admet-28	100	1	s.	s.	PROPN
admet-28	100	2	,	,	PUNCT
admet-28	100	3	1h	1h	NUM
admet-28	100	4	)	)	PUNCT
admet-28	100	5	,	,	PUNCT
admet-28	100	6	7.88	7.88	NUM
admet-28	100	7	(	(	PUNCT
admet-28	100	8	d	d	PROPN
admet-28	100	9	,	,	PUNCT
admet-28	100	10	j	j	PROPN
admet-28	100	11	=	=	PROPN
admet-28	100	12	8.59	8.59	NUM
admet-28	100	13	hz	hz	NOUN
admet-28	100	14	,	,	PUNCT
admet-28	100	15	2h	2h	NUM
admet-28	100	16	)	)	PUNCT
admet-28	100	17	,	,	PUNCT
admet-28	100	18	7.47	7.47	NUM
admet-28	100	19	(	(	PUNCT
admet-28	100	20	d	d	PROPN
admet-28	100	21	,	,	PUNCT
admet-28	100	22	j	j	PROPN
admet-28	100	23	=	=	PROPN
admet-28	100	24	8.59	8.59	NUM
admet-28	100	25	hz	hz	NOUN
admet-28	100	26	,	,	PUNCT
admet-28	100	27	2h	2h	NUM
admet-28	100	28	)	)	PUNCT
admet-28	100	29	,	,	PUNCT
admet-28	100	30	4.01	4.01	NUM
admet-28	100	31	-	-	SYM
admet-28	100	32	4.04	4.04	NUM
admet-28	100	33	(	(	PUNCT
admet-28	100	34	dd	dd	NOUN
admet-28	100	35	,	,	PUNCT
admet-28	100	36	j1,2	j1,2	PROPN
admet-28	100	37	=	=	SYM
admet-28	100	38	4.74	4.74	NUM
admet-28	100	39	,	,	PUNCT
admet-28	100	40	j1,3	j1,3	PROPN
admet-28	100	41	=	=	SYM
admet-28	100	42	9.82	9.82	NUM
admet-28	100	43	hz	hz	NOUN
admet-28	100	44	,	,	PUNCT
admet-28	100	45	1h	1h	NUM
admet-28	100	46	)	)	PUNCT
admet-28	100	47	,	,	PUNCT
admet-28	100	48	3.75	3.75	NUM
admet-28	100	49	(	(	PUNCT
admet-28	100	50	s	s	PROPN
admet-28	100	51	,	,	PUNCT
admet-28	100	52	3h	3h	NUM
admet-28	100	53	)	)	PUNCT
admet-28	100	54	,	,	PUNCT
admet-28	100	55	3.63	3.63	NUM
admet-28	100	56	-	-	SYM
admet-28	100	57	3.69	3.69	NUM
admet-28	100	58	(	(	PUNCT
admet-28	100	59	dd	dd	NOUN
admet-28	100	60	,	,	PUNCT
admet-28	100	61	j1,2	j1,2	PROPN
admet-28	100	62	=	=	NOUN
admet-28	100	63	9.82	9.82	NUM
admet-28	100	64	,	,	PUNCT
admet-28	100	65	j1,3	j1,3	PROPN
admet-28	100	66	=	=	SYM
admet-28	100	67	17.89	17.89	NUM
admet-28	100	68	hz	hz	NOUN
admet-28	100	69	,	,	PUNCT
admet-28	100	70	1h	1h	NUM
admet-28	100	71	)	)	PUNCT
admet-28	100	72	,	,	PUNCT
admet-28	100	73	3.57	3.57	NUM
admet-28	100	74	(	(	PUNCT
admet-28	100	75	q	q	NOUN
admet-28	100	76	,	,	PUNCT
admet-28	100	77	j1,2	j1,2	PROPN
admet-28	100	78	=	=	NOUN
admet-28	100	79	15.96	15.96	NUM
admet-28	100	80	,	,	PUNCT
admet-28	100	81	j1,3	j1,3	PROPN
admet-28	100	82	=	=	SYM
admet-28	100	83	67	67	NUM
admet-28	100	84	hz	hz	NOUN
admet-28	100	85	,	,	PUNCT
admet-28	100	86	2h	2h	NUM
admet-28	100	87	)	)	PUNCT
admet-28	100	88	,	,	PUNCT
admet-28	100	89	3.35	3.35	NUM
admet-28	100	90	-	-	SYM
admet-28	100	91	3.40	3.40	NUM
admet-28	100	92	(	(	PUNCT
admet-28	100	93	dd	dd	NOUN
admet-28	100	94	,	,	PUNCT
admet-28	100	95	j1,2	j1,2	PROPN
admet-28	100	96	=	=	SYM
admet-28	100	97	4.74	4.74	NUM
admet-28	100	98	,	,	PUNCT
admet-28	100	99	j1,3	j1,3	PROPN
admet-28	100	100	=	=	SYM
admet-28	100	101	17.89	17.89	NUM
admet-28	100	102	hz	hz	NOUN
admet-28	100	103	,	,	PUNCT
admet-28	100	104	1h	1h	NUM
admet-28	100	105	)	)	PUNCT
admet-28	100	106	,	,	PUNCT
admet-28	100	107	1.33	1.33	NUM
admet-28	100	108	(	(	PUNCT
admet-28	100	109	s	s	PROPN
admet-28	100	110	,	,	PUNCT
admet-28	100	111	9h	9h	NUM
admet-28	100	112	)	)	PUNCT
admet-28	100	113	;	;	PUNCT
admet-28	100	114	13c	13c	X
admet-28	100	115	nmr	nmr	NOUN
admet-28	100	116	(	(	PUNCT
admet-28	100	117	125	125	NUM
admet-28	100	118	mhz	mhz	NOUN
admet-28	100	119	,	,	PUNCT
admet-28	100	120	cdcl3	cdcl3	NOUN
admet-28	100	121	)	)	PUNCT
admet-28	100	122			PROPN
admet-28	100	123	196.0	196.0	NUM
admet-28	100	124	,	,	PUNCT
admet-28	100	125	176.8	176.8	NUM
admet-28	100	126	,	,	PUNCT
admet-28	100	127	170.7	170.7	NUM
admet-28	100	128	,	,	PUNCT
admet-28	100	129	157.5	157.5	NUM
admet-28	100	130	,	,	PUNCT
admet-28	100	131	133.2	133.2	NUM
admet-28	100	132	,	,	PUNCT
admet-28	100	133	128.1	128.1	NUM
admet-28	100	134	,	,	PUNCT
admet-28	100	135	125.6	125.6	NUM
admet-28	100	136	,	,	PUNCT
admet-28	100	137	52.7	52.7	NUM
admet-28	100	138	,	,	PUNCT
admet-28	100	139	41.4	41.4	NUM
admet-28	100	140	,	,	PUNCT
admet-28	100	141	40.3	40.3	NUM
admet-28	100	142	,	,	PUNCT
admet-28	100	143	35.1	35.1	NUM
admet-28	100	144	,	,	PUNCT
admet-28	100	145	33.7	33.7	NUM
admet-28	100	146	,	,	PUNCT
admet-28	100	147	31.0	31.0	NUM
admet-28	100	148	;	;	PUNCT
admet-28	100	149	lc	lc	PROPN
admet-28	100	150	/	/	SYM
admet-28	100	151	esi	esi	PROPN
admet-28	100	152	-	-	PUNCT
admet-28	100	153	hr	hr	NOUN
admet-28	100	154	-	-	PUNCT
admet-28	100	155	ms	ms	NOUN
admet-28	100	156	:	:	PUNCT
admet-28	100	157	339.12551	339.12551	NUM
admet-28	100	158	(	(	PUNCT
admet-28	100	159	m+1	m+1	NUM
admet-28	100	160	calculated	calculate	VERB
admet-28	100	161	)	)	PUNCT
admet-28	100	162	,	,	PUNCT
admet-28	100	163	339.12607	339.12607	NUM
admet-28	100	164	(	(	PUNCT
admet-28	100	165	m+1	m+1	PROPN
admet-28	100	166	,	,	PUNCT
admet-28	100	167	measured	measure	VERB
admet-28	100	168	)	)	PUNCT
admet-28	100	169	.	.	PUNCT
admet-28	101	1	2.2.3	2.2.3	X
admet-28	101	2	.	.	X
admet-28	102	1	molecular	molecular	ADJ
admet-28	102	2	modeling	model	VERB
admet-28	102	3	3d	3d	NUM
admet-28	102	4	structure	structure	NOUN
admet-28	102	5	of	of	ADP
admet-28	102	6	comp	comp	NOUN
admet-28	102	7	.	.	PUNCT
admet-28	103	1	1	1	NUM
admet-28	103	2	and	and	CCONJ
admet-28	103	3	2	2	NUM
admet-28	103	4	were	be	AUX
admet-28	103	5	obtained	obtain	VERB
admet-28	103	6	in	in	ADP
admet-28	103	7	omega	omega	NOUN
admet-28	103	8	2.5.1.4	2.5.1.4	NUM
admet-28	104	1	[	[	X
admet-28	104	2	20,21	20,21	NUM
admet-28	104	3	]	]	PUNCT
admet-28	104	4	as	as	ADP
admet-28	104	5	the	the	DET
admet-28	104	6	global	global	ADJ
admet-28	104	7	energy	energy	NOUN
admet-28	104	8	minima	minima	NOUN
admet-28	104	9	using	use	VERB
admet-28	104	10	mmff94s	mmff94s	PROPN
admet-28	104	11	force	force	NOUN
admet-28	104	12	field	field	NOUN
admet-28	104	13	[	[	X
admet-28	104	14	22	22	NUM
admet-28	104	15	]	]	PUNCT
admet-28	104	16	.	.	PUNCT
admet-28	105	1	after	after	ADP
admet-28	105	2	deprotonation	deprotonation	NOUN
admet-28	105	3	of	of	ADP
admet-28	105	4	carboxyl	carboxyl	NOUN
admet-28	105	5	groups	group	NOUN
admet-28	105	6	,	,	PUNCT
admet-28	105	7	structures	structure	NOUN
admet-28	105	8	were	be	AUX
admet-28	105	9	further	far	ADV
admet-28	105	10	minimized	minimize	VERB
admet-28	105	11	in	in	ADP
admet-28	105	12	mopac2012	mopac2012	PROPN
admet-28	105	13	program	program	NOUN
admet-28	105	14	[	[	X
admet-28	105	15	23,24	23,24	X
admet-28	105	16	]	]	PUNCT
admet-28	105	17	by	by	ADP
admet-28	105	18	semiempirical	semiempirical	ADJ
admet-28	105	19	molecular	molecular	ADJ
admet-28	105	20	orbital	orbital	ADJ
admet-28	105	21	pm6	pm6	NOUN
admet-28	105	22	method	method	NOUN
admet-28	105	23	[	[	X
admet-28	105	24	25	25	NUM
admet-28	105	25	]	]	PUNCT
admet-28	105	26	.	.	PUNCT
admet-28	106	1	structure	structure	NOUN
admet-28	106	2	of	of	ADP
admet-28	106	3	the	the	DET
admet-28	106	4	hsa	hsa	PROPN
admet-28	106	5	was	be	AUX
admet-28	106	6	prepared	prepare	VERB
admet-28	106	7	in	in	ADP
admet-28	106	8	vegazz	vegazz	NOUN
admet-28	106	9	3.0.1	3.0.1	NUM
admet-28	107	1	[	[	X
admet-28	107	2	26	26	NUM
admet-28	107	3	]	]	PUNCT
admet-28	107	4	.	.	PUNCT
admet-28	108	1	docking	docking	NOUN
admet-28	108	2	of	of	ADP
admet-28	108	3	both	both	DET
admet-28	108	4	compounds	compound	NOUN
admet-28	108	5	was	be	AUX
admet-28	108	6	done	do	VERB
admet-28	108	7	by	by	ADP
admet-28	108	8	autodock	autodock	NOUN
admet-28	108	9	vina	vina	PROPN
admet-28	108	10	1.1	1.1	NUM
admet-28	108	11	[	[	X
admet-28	108	12	27	27	NUM
admet-28	108	13	]	]	PUNCT
admet-28	108	14	.	.	PUNCT
admet-28	109	1	for	for	ADP
admet-28	109	2	docking	dock	VERB
admet-28	109	3	studies	study	NOUN
admet-28	109	4	,	,	PUNCT
admet-28	109	5	h	h	NOUN
admet-28	109	6	atoms	atom	NOUN
admet-28	109	7	were	be	AUX
admet-28	109	8	added	add	VERB
admet-28	109	9	to	to	ADP
admet-28	109	10	the	the	DET
admet-28	109	11	hsa	hsa	PROPN
admet-28	109	12	structure	structure	NOUN
admet-28	109	13	(	(	PUNCT
admet-28	109	14	pdb	pdb	PROPN
admet-28	109	15	i	i	PROPN
admet-28	109	16	d	d	PROPN
admet-28	109	17	1bj5	1bj5	NUM
admet-28	110	1	[	[	X
admet-28	110	2	28	28	NUM
admet-28	110	3	]	]	NUM
admet-28	110	4	)	)	PUNCT
admet-28	110	5	,	,	PUNCT
admet-28	110	6	the	the	DET
admet-28	110	7	system	system	NOUN
admet-28	110	8	was	be	AUX
admet-28	110	9	neutralized	neutralize	VERB
admet-28	110	10	(	(	PUNCT
admet-28	110	11	18	18	NUM
admet-28	110	12	na+	na+	NOUN
admet-28	110	13	ions	ion	NOUN
admet-28	110	14	added	add	VERB
admet-28	110	15	)	)	PUNCT
admet-28	110	16	and	and	CCONJ
admet-28	110	17	embedded	embed	VERB
admet-28	110	18	in	in	ADP
admet-28	110	19	explicit	explicit	ADJ
admet-28	110	20	solvent	solvent	NOUN
admet-28	110	21	(	(	PUNCT
admet-28	110	22	water	water	NOUN
admet-28	110	23	)	)	PUNCT
admet-28	110	24	sphere	sphere	NOUN
admet-28	110	25	encompassing	encompass	VERB
admet-28	110	26	35	35	NUM
admet-28	110	27	å	å	NOUN
admet-28	110	28	from	from	ADP
admet-28	110	29	the	the	DET
admet-28	110	30	protein	protein	NOUN
admet-28	110	31	boundary	boundary	NOUN
admet-28	110	32	.	.	PUNCT
admet-28	111	1	molecules	molecule	NOUN
admet-28	111	2	of	of	ADP
admet-28	111	3	myristic	myristic	ADJ
admet-28	111	4	acid	acid	NOUN
admet-28	111	5	,	,	PUNCT
admet-28	111	6	cocrystallized	cocrystallize	VERB
admet-28	111	7	with	with	ADP
admet-28	111	8	the	the	DET
admet-28	111	9	protein	protein	NOUN
admet-28	111	10	,	,	PUNCT
admet-28	111	11	were	be	AUX
admet-28	111	12	retained	retain	VERB
admet-28	111	13	.	.	PUNCT
admet-28	112	1	similar	similar	ADJ
admet-28	112	2	procedure	procedure	NOUN
admet-28	112	3	was	be	AUX
admet-28	112	4	used	use	VERB
admet-28	112	5	to	to	PART
admet-28	112	6	prepare	prepare	VERB
admet-28	112	7	comp	comp	NOUN
admet-28	112	8	.	.	PUNCT
admet-28	113	1	1	1	NUM
admet-28	113	2	/	/	SYM
admet-28	113	3	hsa	hsa	PROPN
admet-28	113	4	complex	complex	NOUN
admet-28	113	5	for	for	ADP
admet-28	113	6	md	md	PROPN
admet-28	113	7	.	.	PROPN
admet-28	114	1	charmm22	charmm22	PROPN
admet-28	114	2	force	force	PROPN
admet-28	114	3	field	field	NOUN
admet-28	114	4	and	and	CCONJ
admet-28	114	5	gasteiger	gasteiger	NOUN
admet-28	114	6	charges	charge	NOUN
admet-28	114	7	were	be	AUX
admet-28	114	8	used	use	VERB
admet-28	114	9	for	for	ADP
admet-28	114	10	md	md	PROPN
admet-28	114	11	simulations	simulation	NOUN
admet-28	114	12	.	.	PUNCT
admet-28	115	1	solvated	solvate	VERB
admet-28	115	2	protein	protein	NOUN
admet-28	115	3	and	and	CCONJ
admet-28	115	4	protein	protein	NOUN
admet-28	115	5	/	/	SYM
admet-28	115	6	comp	comp	NOUN
admet-28	115	7	.	.	PUNCT
admet-28	116	1	1	1	NUM
admet-28	116	2	complex	complex	NOUN
admet-28	116	3	were	be	AUX
admet-28	116	4	minimized	minimize	VERB
admet-28	116	5	at	at	ADP
admet-28	116	6	300	300	NUM
admet-28	116	7	k	k	NOUN
admet-28	116	8	,	,	PUNCT
admet-28	116	9	during	during	ADP
admet-28	116	10	30000	30000	NUM
admet-28	116	11	steps	step	NOUN
admet-28	116	12	(	(	PUNCT
admet-28	116	13	30	30	NUM
admet-28	116	14	ps	ps	NOUN
admet-28	116	15	)	)	PUNCT
admet-28	116	16	.	.	PUNCT
admet-28	117	1	the	the	DET
admet-28	117	2	last	last	ADJ
admet-28	117	3	frame	frame	NOUN
admet-28	117	4	from	from	ADP
admet-28	117	5	the	the	DET
admet-28	117	6	minimization	minimization	NOUN
admet-28	117	7	was	be	AUX
admet-28	117	8	used	use	VERB
admet-28	117	9	for	for	ADP
admet-28	117	10	heating	heating	NOUN
admet-28	117	11	of	of	ADP
admet-28	117	12	the	the	DET
admet-28	117	13	system	system	NOUN
admet-28	117	14	to	to	ADP
admet-28	117	15	300	300	NUM
admet-28	117	16	k	k	NOUN
admet-28	117	17	(	(	PUNCT
admet-28	117	18	10000	10000	NUM
admet-28	117	19	steps	step	NOUN
admet-28	117	20	,	,	PUNCT
admet-28	117	21	10	10	NUM
admet-28	117	22	ps	ps	NOUN
admet-28	117	23	)	)	PUNCT
admet-28	117	24	.	.	PUNCT
admet-28	118	1	the	the	DET
admet-28	118	2	system	system	NOUN
admet-28	118	3	prepared	prepare	VERB
admet-28	118	4	in	in	ADP
admet-28	118	5	this	this	DET
admet-28	118	6	way	way	NOUN
admet-28	118	7	was	be	AUX
admet-28	118	8	submitted	submit	VERB
admet-28	118	9	to	to	ADP
admet-28	118	10	3	3	NUM
admet-28	118	11	ns	ns	NUM
admet-28	118	12	of	of	ADP
admet-28	118	13	unconstrained	unconstrained	ADJ
admet-28	118	14	md	md	PROPN
admet-28	118	15	simulation	simulation	PROPN
admet-28	118	16	.	.	PUNCT
admet-28	119	1	structures	structure	NOUN
admet-28	119	2	of	of	ADP
admet-28	119	3	compounds	compound	NOUN
admet-28	119	4	1	1	NUM
admet-28	119	5	and	and	CCONJ
admet-28	119	6	2	2	NUM
admet-28	119	7	were	be	AUX
admet-28	119	8	docked	dock	VERB
admet-28	119	9	in	in	ADP
admet-28	119	10	the	the	DET
admet-28	119	11	whole	whole	ADJ
admet-28	119	12	structure	structure	NOUN
admet-28	119	13	of	of	ADP
admet-28	119	14	hsa	hsa	PROPN
admet-28	119	15	,	,	PUNCT
admet-28	119	16	using	use	VERB
admet-28	119	17	grid	grid	NOUN
admet-28	119	18	resolution	resolution	NOUN
admet-28	119	19	of	of	ADP
admet-28	119	20	1	1	NUM
admet-28	119	21	å	å	NOUN
admet-28	119	22	(	(	PUNCT
admet-28	119	23	default	default	NOUN
admet-28	119	24	in	in	ADP
admet-28	119	25	vina	vina	PROPN
admet-28	119	26	)	)	PUNCT
admet-28	119	27	.	.	PUNCT
admet-28	120	1	exhaustiveness	exhaustiveness	PROPN
admet-28	120	2	was	be	AUX
admet-28	120	3	set	set	VERB
admet-28	120	4	to	to	ADP
admet-28	120	5	100	100	NUM
admet-28	120	6	.	.	PUNCT
admet-28	121	1	compounds	compound	NOUN
admet-28	121	2	1	1	NUM
admet-28	121	3	and	and	CCONJ
admet-28	121	4	2	2	NUM
admet-28	121	5	were	be	AUX
admet-28	121	6	treated	treat	VERB
admet-28	121	7	as	as	ADP
admet-28	121	8	flexible	flexible	ADJ
admet-28	121	9	,	,	PUNCT
admet-28	121	10	while	while	SCONJ
admet-28	121	11	protein	protein	NOUN
admet-28	121	12	sidechains	sidechain	NOUN
admet-28	121	13	were	be	AUX
admet-28	121	14	treated	treat	VERB
admet-28	121	15	as	as	ADP
admet-28	121	16	rigid	rigid	ADJ
admet-28	121	17	.	.	PUNCT
admet-28	122	1	best	good	ADJ
admet-28	122	2	docking	docking	ADJ
admet-28	122	3	solutions	solution	NOUN
admet-28	122	4	of	of	ADP
admet-28	122	5	compounds	compound	NOUN
admet-28	122	6	1	1	NUM
admet-28	122	7	and	and	CCONJ
admet-28	122	8	2	2	NUM
admet-28	122	9	were	be	AUX
admet-28	122	10	optimized	optimize	VERB
admet-28	122	11	and	and	CCONJ
admet-28	122	12	rescored	rescore	VERB
admet-28	122	13	by	by	ADP
admet-28	122	14	fred	fred	PROPN
admet-28	122	15	rescore	rescore	PROPN
admet-28	122	16	,	,	PUNCT
admet-28	122	17	the	the	DET
admet-28	122	18	part	part	NOUN
admet-28	122	19	of	of	ADP
admet-28	122	20	oedocking	oedocke	VERB
admet-28	122	21	suite	suite	NOUN
admet-28	122	22	[	[	X
admet-28	122	23	29	29	NUM
admet-28	122	24	-	-	SYM
admet-28	122	25	31	31	NUM
admet-28	122	26	]	]	PUNCT
admet-28	122	27	.	.	PUNCT
admet-28	123	1	all	all	DET
admet-28	123	2	md	md	PROPN
admet-28	123	3	simulations	simulation	NOUN
admet-28	123	4	were	be	AUX
admet-28	123	5	performed	perform	VERB
admet-28	123	6	in	in	ADP
admet-28	123	7	namd	namd	NOUN
admet-28	123	8	2.9	2.9	NUM
admet-28	123	9	[	[	SYM
admet-28	123	10	32	32	NUM
admet-28	123	11	]	]	PUNCT
admet-28	123	12	in	in	ADP
admet-28	123	13	linux	linux	PROPN
admet-28	123	14	environment	environment	PROPN
admet-28	123	15	,	,	PUNCT
admet-28	123	16	on	on	ADP
admet-28	123	17	multi	multi	ADJ
admet-28	123	18	-	-	ADJ
admet-28	123	19	node	node	ADJ
admet-28	123	20	cluster	cluster	NOUN
admet-28	123	21	[	[	X
admet-28	123	22	33	33	NUM
admet-28	123	23	]	]	PUNCT
admet-28	123	24	equipped	equip	VERB
admet-28	123	25	with	with	ADP
admet-28	123	26	the	the	DET
admet-28	123	27	dual	dual	ADJ
admet-28	123	28	intel	intel	NOUN
admet-28	123	29	xeon	xeon	PROPN
admet-28	123	30	x5560	x5560	PROPN
admet-28	123	31	@	@	ADP
admet-28	123	32	2.8	2.8	NUM
admet-28	123	33	ghz	ghz	NOUN
admet-28	123	34	processors	processor	NOUN
admet-28	123	35	.	.	PUNCT
admet-28	124	1	computations	computation	NOUN
admet-28	124	2	in	in	ADP
admet-28	124	3	grid	grid	NOUN
admet-28	124	4	[	[	X
admet-28	124	5	34	34	NUM
admet-28	124	6	]	]	PUNCT
admet-28	124	7	were	be	AUX
admet-28	124	8	performed	perform	VERB
admet-28	124	9	with	with	ADP
admet-28	124	10	the	the	DET
admet-28	124	11	carboxylate	carboxylate	NOUN
admet-28	124	12	anion	anion	NOUN
admet-28	124	13	(	(	PUNCT
admet-28	124	14	coo	coo	NOUN
admet-28	124	15	–	–	PUNCT
admet-28	124	16	)	)	PUNCT
admet-28	124	17	probe	probe	NOUN
admet-28	124	18	in	in	ADP
admet-28	124	19	the	the	DET
admet-28	124	20	box	box	NOUN
admet-28	124	21	encompassing	encompass	VERB
admet-28	124	22	the	the	DET
admet-28	124	23	whole	whole	ADJ
admet-28	124	24	protein	protein	NOUN
admet-28	124	25	,	,	PUNCT
admet-28	124	26	or	or	CCONJ
admet-28	124	27	with	with	ADP
admet-28	124	28	the	the	DET
admet-28	124	29	water	water	NOUN
admet-28	124	30	probe	probe	NOUN
admet-28	124	31	(	(	PUNCT
admet-28	124	32	oh2	oh2	NOUN
admet-28	124	33	)	)	PUNCT
admet-28	124	34	in	in	ADP
admet-28	124	35	the	the	DET
admet-28	124	36	boxes	box	NOUN
admet-28	124	37	encompassing	encompass	VERB
admet-28	124	38	sudlow	sudlow	ADJ
admet-28	124	39	sites	site	NOUN
admet-28	124	40	i	i	PRON
admet-28	124	41	and	and	CCONJ
admet-28	124	42	ii	ii	PROPN
admet-28	124	43	,	,	PUNCT
admet-28	124	44	separately	separately	ADV
admet-28	124	45	,	,	PUNCT
admet-28	124	46	using	use	VERB
admet-28	124	47	grid	grid	NOUN
admet-28	124	48	resolution	resolution	NOUN
admet-28	124	49	of	of	ADP
admet-28	124	50	0.3	0.3	NUM
admet-28	124	51	å	å	NOUN
admet-28	124	52	.	.	PUNCT
admet-28	125	1	the	the	DET
admet-28	125	2	movement	movement	NOUN
admet-28	125	3	of	of	ADP
admet-28	125	4	protein	protein	NOUN
admet-28	125	5	side	side	NOUN
admet-28	125	6	-	-	PUNCT
admet-28	125	7	chains	chain	NOUN
admet-28	125	8	during	during	ADP
admet-28	125	9	calculations	calculation	NOUN
admet-28	125	10	was	be	AUX
admet-28	125	11	allowed	allow	VERB
admet-28	125	12	in	in	ADP
admet-28	125	13	calculations	calculation	NOUN
admet-28	125	14	with	with	ADP
admet-28	125	15	coo	coo	NOUN
admet-28	125	16	–	–	PUNCT
admet-28	125	17	probe	probe	NOUN
admet-28	125	18	,	,	PUNCT
admet-28	125	19	while	while	SCONJ
admet-28	125	20	the	the	DET
admet-28	125	21	side	side	NOUN
admet-28	125	22	chains	chain	NOUN
admet-28	125	23	were	be	AUX
admet-28	125	24	hold	hold	VERB
admet-28	125	25	rigid	rigid	ADJ
admet-28	125	26	in	in	ADP
admet-28	125	27	calculation	calculation	NOUN
admet-28	125	28	with	with	ADP
admet-28	125	29	oh2	oh2	PROPN
admet-28	125	30	probe	probe	NOUN
admet-28	125	31	.	.	PUNCT
admet-28	126	1	figures	figure	NOUN
admet-28	126	2	were	be	AUX
admet-28	126	3	prepared	prepare	VERB
admet-28	126	4	in	in	ADP
admet-28	126	5	pymol	pymol	PROPN
admet-28	126	6	v	v	NOUN
admet-28	126	7	0.99	0.99	NUM
admet-28	126	8	[	[	X
admet-28	126	9	35	35	NUM
admet-28	126	10	]	]	PUNCT
admet-28	126	11	,	,	PUNCT
admet-28	126	12	while	while	SCONJ
admet-28	126	13	figure	figure	NOUN
admet-28	126	14	10	10	NUM
admet-28	126	15	is	be	AUX
admet-28	126	16	made	make	VERB
admet-28	126	17	by	by	ADP
admet-28	126	18	oe	oe	PROPN
admet-28	126	19	docking	docking	NOUN
admet-28	126	20	report	report	NOUN
admet-28	126	21	.	.	PUNCT
admet-28	127	1	atomic	atomic	ADJ
admet-28	127	2	charges	charge	NOUN
admet-28	127	3	of	of	ADP
admet-28	127	4	comp	comp	NOUN
admet-28	127	5	.	.	PUNCT
admet-28	128	1	1	1	NUM
admet-28	128	2	and	and	CCONJ
admet-28	128	3	trp214	trp214	ADJ
admet-28	128	4	in	in	ADP
admet-28	128	5	excited	excited	ADJ
admet-28	128	6	states	state	NOUN
admet-28	128	7	were	be	AUX
admet-28	128	8	obtained	obtain	VERB
admet-28	128	9	in	in	ADP
admet-28	128	10	mopac2012	mopac2012	PROPN
admet-28	128	11	[	[	X
admet-28	128	12	23,24	23,24	NOUN
admet-28	128	13	]	]	PUNCT
admet-28	128	14	,	,	PUNCT
admet-28	128	15	by	by	ADP
admet-28	128	16	singlepoint	singlepoint	NOUN
admet-28	128	17	calculations	calculation	NOUN
admet-28	128	18	with	with	ADP
admet-28	128	19	semiempirical	semiempirical	ADJ
admet-28	128	20	molecular	molecular	ADJ
admet-28	128	21	orbital	orbital	ADJ
admet-28	128	22	pm6	pm6	NOUN
admet-28	128	23	method	method	NOUN
admet-28	128	24	[	[	X
admet-28	128	25	25	25	NUM
admet-28	128	26	]	]	PUNCT
admet-28	128	27	,	,	PUNCT
admet-28	128	28	using	use	VERB
admet-28	128	29	eigenvector	eigenvector	NOUN
admet-28	128	30	-	-	PUNCT
admet-28	128	31	following	follow	VERB
admet-28	128	32	optimizer	optimizer	NOUN
admet-28	128	33	and	and	CCONJ
admet-28	128	34	considering	consider	VERB
admet-28	128	35	low	low	ADJ
admet-28	128	36	dielectric	dielectric	ADJ
admet-28	128	37	constant	constant	ADJ
admet-28	128	38	of	of	ADP
admet-28	128	39	medium	medium	ADJ
admet-28	128	40	(	(	PUNCT
admet-28	128	41	4	4	NUM
admet-28	128	42	,	,	PUNCT
admet-28	128	43	characteristic	characteristic	ADJ
admet-28	128	44	for	for	ADP
admet-28	128	45	protein	protein	NOUN
admet-28	128	46	interior	interior	NOUN
admet-28	128	47	)	)	PUNCT
admet-28	128	48	.	.	PUNCT
admet-28	129	1	mopac	mopac	NOUN
admet-28	129	2	keywords	keyword	NOUN
admet-28	129	3	open(2,2	open(2,2	PROPN
admet-28	129	4	)	)	PUNCT
admet-28	129	5	,	,	PUNCT
admet-28	129	6	singlet	singlet	NOUN
admet-28	129	7	,	,	PUNCT
admet-28	129	8	root=2	root=2	PROPN
admet-28	129	9	(	(	PUNCT
admet-28	129	10	meci	meci	PROPN
admet-28	129	11	calculations	calculation	NOUN
admet-28	129	12	)	)	PUNCT
admet-28	129	13	have	have	AUX
admet-28	129	14	been	be	AUX
admet-28	129	15	used	use	VERB
admet-28	129	16	.	.	PUNCT
admet-28	130	1	the	the	DET
admet-28	130	2	-nhand	-nhand	PROPN
admet-28	130	3	-c(o)termini	-c(o)termini	PROPN
admet-28	130	4	of	of	ADP
admet-28	130	5	trp214	trp214	PROPN
admet-28	130	6	were	be	AUX
admet-28	130	7	capped	cap	VERB
admet-28	130	8	with	with	ADP
admet-28	130	9	me	i	PRON
admet-28	130	10	groups	group	NOUN
admet-28	130	11	.	.	PUNCT
admet-28	131	1	exact	exact	ADJ
admet-28	131	2	coordinates	coordinate	NOUN
admet-28	131	3	of	of	ADP
admet-28	131	4	comp	comp	NOUN
admet-28	131	5	.	.	PUNCT
admet-28	132	1	1	1	NUM
admet-28	132	2	and	and	CCONJ
admet-28	132	3	trp214	trp214	PROPN
admet-28	132	4	,	,	PUNCT
admet-28	132	5	obtained	obtain	VERB
admet-28	132	6	from	from	ADP
admet-28	132	7	docking	dock	VERB
admet-28	132	8	calculations	calculation	NOUN
admet-28	132	9	and	and	CCONJ
admet-28	132	10	posterior	posterior	ADJ
admet-28	132	11	md	md	PROPN
admet-28	132	12	minimization	minimization	NOUN
admet-28	132	13	,	,	PUNCT
admet-28	132	14	as	as	SCONJ
admet-28	132	15	described	describe	VERB
admet-28	132	16	above	above	ADV
admet-28	132	17	,	,	PUNCT
admet-28	132	18	were	be	AUX
admet-28	132	19	retained	retain	VERB
admet-28	132	20	.	.	PUNCT
admet-28	133	1	3	3	X
admet-28	133	2	.	.	NOUN
admet-28	133	3	results	result	NOUN
admet-28	133	4	and	and	CCONJ
admet-28	133	5	discussion	discussion	NOUN
admet-28	133	6	intrinsic	intrinsic	ADJ
admet-28	133	7	fluorescence	fluorescence	NOUN
admet-28	133	8	of	of	ADP
admet-28	133	9	hsa	hsa	PROPN
admet-28	133	10	originates	originate	NOUN
admet-28	133	11	from	from	ADP
admet-28	133	12	trp214	trp214	ADJ
admet-28	133	13	residue	residue	NOUN
admet-28	133	14	,	,	PUNCT
admet-28	133	15	the	the	DET
admet-28	133	16	only	only	ADJ
admet-28	133	17	trp	trp	PROPN
admet-28	133	18	residue	residue	NOUN
admet-28	133	19	in	in	ADP
admet-28	133	20	hsa	hsa	PROPN
admet-28	133	21	.	.	PUNCT
admet-28	134	1	addition	addition	NOUN
admet-28	134	2	of	of	ADP
admet-28	134	3	compound	compound	NOUN
admet-28	134	4	1	1	NUM
admet-28	134	5	to	to	ADP
admet-28	134	6	hsa	hsa	PROPN
admet-28	134	7	in	in	ADP
admet-28	134	8	solution	solution	NOUN
admet-28	134	9	induces	induce	VERB
admet-28	134	10	changes	change	NOUN
admet-28	134	11	in	in	ADP
admet-28	134	12	hsa	hsa	PROPN
admet-28	134	13	fluorescence	fluorescence	NOUN
admet-28	134	14	emission	emission	NOUN
admet-28	134	15	spectrum	spectrum	NOUN
admet-28	134	16	(	(	PUNCT
admet-28	134	17	figure	figure	NOUN
admet-28	134	18	3	3	NUM
admet-28	134	19	)	)	PUNCT
admet-28	134	20	.	.	PUNCT
admet-28	135	1	as	as	SCONJ
admet-28	135	2	it	it	PRON
admet-28	135	3	can	can	AUX
admet-28	135	4	be	be	AUX
admet-28	135	5	seen	see	VERB
admet-28	135	6	on	on	ADP
admet-28	135	7	figure	figure	NOUN
admet-28	135	8	3	3	NUM
admet-28	135	9	,	,	PUNCT
admet-28	135	10	fluorescence	fluorescence	NOUN
admet-28	135	11	intensity	intensity	NOUN
admet-28	135	12	decreases	decrease	VERB
admet-28	135	13	during	during	ADP
admet-28	135	14	the	the	DET
admet-28	135	15	titration	titration	NOUN
admet-28	135	16	as	as	ADP
admet-28	135	17	the	the	DET
admet-28	135	18	concentration	concentration	NOUN
admet-28	135	19	of	of	ADP
admet-28	135	20	comp	comp	NOUN
admet-28	135	21	.	.	PUNCT
admet-28	136	1	1	1	NUM
admet-28	136	2	increases	increase	NOUN
admet-28	136	3	,	,	PUNCT
admet-28	136	4	and	and	CCONJ
admet-28	136	5	a	a	DET
admet-28	136	6	slight	slight	ADJ
admet-28	136	7	blue	blue	ADJ
admet-28	136	8	shift	shift	NOUN
admet-28	136	9	of	of	ADP
admet-28	136	10	the	the	DET
admet-28	136	11	hsa	hsa	PROPN
admet-28	136	12	maximum	maximum	ADJ
admet-28	136	13	emission	emission	NOUN
admet-28	136	14	wavelength	wavelength	NOUN
admet-28	136	15	(	(	PUNCT
admet-28	136	16	λmax	λmax	NOUN
admet-28	136	17	=	=	SYM
admet-28	136	18	340	340	NUM
admet-28	136	19	nm	nm	NOUN
admet-28	136	20	)	)	PUNCT
admet-28	136	21	is	be	AUX
admet-28	136	22	visible	visible	ADJ
admet-28	136	23	.	.	PUNCT
admet-28	137	1	this	this	PRON
admet-28	137	2	shows	show	VERB
admet-28	137	3	that	that	SCONJ
admet-28	137	4	the	the	DET
admet-28	137	5	intrinsic	intrinsic	ADJ
admet-28	137	6	fluorescence	fluorescence	NOUN
admet-28	137	7	of	of	ADP
admet-28	137	8	hsa	hsa	PROPN
admet-28	137	9	is	be	AUX
admet-28	137	10	quenched	quench	VERB
admet-28	137	11	by	by	ADP
admet-28	137	12	comp	comp	NOUN
admet-28	137	13	.	.	PUNCT
admet-28	138	1	1	1	X
admet-28	138	2	.	.	X
admet-28	139	1	the	the	DET
admet-28	139	2	change	change	NOUN
admet-28	139	3	in	in	ADP
admet-28	139	4	the	the	DET
admet-28	139	5	maximum	maximum	ADJ
admet-28	139	6	emission	emission	NOUN
admet-28	139	7	wavelength	wavelength	NOUN
admet-28	139	8	indicates	indicate	VERB
admet-28	139	9	that	that	SCONJ
admet-28	139	10	the	the	DET
admet-28	139	11	microenvironment	microenvironment	NOUN
admet-28	139	12	around	around	ADP
admet-28	139	13	trp214	trp214	PROPN
admet-28	139	14	is	be	AUX
admet-28	139	15	altered	alter	VERB
admet-28	139	16	as	as	ADP
admet-28	139	17	comp	comp	NOUN
admet-28	139	18	.	.	PUNCT
admet-28	140	1	1	1	NUM
admet-28	140	2	/	/	SYM
admet-28	140	3	hsa	hsa	PROPN
admet-28	140	4	complex	complex	NOUN
admet-28	140	5	is	be	AUX
admet-28	140	6	formed	form	VERB
admet-28	140	7	.	.	PUNCT
admet-28	141	1	admet	admet	PROPN
admet-28	141	2	&	&	CCONJ
admet-28	141	3	dmpk	dmpk	PROPN
admet-28	141	4	2(2	2(2	NUM
admet-28	141	5	)	)	PUNCT
admet-28	141	6	(	(	PUNCT
admet-28	141	7	2014	2014	NUM
admet-28	141	8	)	)	PUNCT
admet-28	141	9	126	126	NUM
admet-28	141	10	-	-	SYM
admet-28	141	11	142	142	NUM
admet-28	141	12	hsa	hsa	PROPN
admet-28	141	13	binding	bind	VERB
admet-28	141	14	doi	doi	NOUN
admet-28	141	15	:	:	PUNCT
admet-28	141	16	10.5599	10.5599	NUM
admet-28	141	17	/	/	SYM
admet-28	141	18	admet.2.2.28	admet.2.2.28	NOUN
admet-28	141	19	131	131	NUM
admet-28	141	20	figure	figure	NOUN
admet-28	141	21	3	3	NUM
admet-28	141	22	.	.	PUNCT
admet-28	141	23	changes	change	NOUN
admet-28	141	24	in	in	ADP
admet-28	141	25	hsa	hsa	PROPN
admet-28	141	26	fluorescence	fluorescence	PROPN
admet-28	141	27	emission	emission	NOUN
admet-28	141	28	spectra	spectra	NOUN
admet-28	141	29	(	(	PUNCT
admet-28	141	30	chsa	chsa	NOUN
admet-28	141	31	=	=	SYM
admet-28	141	32	1	1	NUM
admet-28	141	33			NOUN
admet-28	141	34	10	10	NUM
admet-28	141	35	-6	-6	NOUN
admet-28	141	36	m	m	NOUN
admet-28	141	37	)	)	PUNCT
admet-28	141	38	upon	upon	SCONJ
admet-28	141	39	comp	comp	NOUN
admet-28	141	40	.	.	PUNCT
admet-28	142	1	1	1	NUM
admet-28	142	2	addition	addition	NOUN
admet-28	142	3	(	(	PUNCT
admet-28	142	4	1	1	NUM
admet-28	142	5	-	-	SYM
admet-28	142	6	20	20	NUM
admet-28	142	7	mol	mol	ADP
admet-28	142	8	equivalents	equivalent	NOUN
admet-28	142	9	)	)	PUNCT
admet-28	142	10	,	,	PUNCT
admet-28	142	11	concentration	concentration	NOUN
admet-28	142	12	of	of	ADP
admet-28	142	13	all	all	DET
admet-28	142	14	solutions	solution	NOUN
admet-28	142	15	was	be	AUX
admet-28	142	16	1	1	NUM
admet-28	142	17			PROPN
admet-28	142	18	10	10	NUM
admet-28	142	19	-6	-6	NOUN
admet-28	142	20	m	m	PRON
admet-28	142	21	;	;	PUNCT
admet-28	142	22	t	t	X
admet-28	142	23	=	=	SYM
admet-28	142	24	37	37	NUM
admet-28	142	25	±	±	NUM
admet-28	142	26	1	1	NUM
admet-28	142	27	c	c	VERB
admet-28	142	28	,	,	PUNCT
admet-28	142	29	ph=7.34	ph=7.34	NOUN
admet-28	142	30	(	(	PUNCT
admet-28	142	31	1	1	NUM
admet-28	142	32	pbs	pbs	PROPN
admet-28	142	33	)	)	PUNCT
admet-28	142	34	.	.	PUNCT
admet-28	143	1	3.1	3.1	NUM
admet-28	143	2	.	.	PUNCT
admet-28	143	3	quenching	quenching	NOUN
admet-28	143	4	mechanism	mechanism	NOUN
admet-28	143	5	static	static	ADJ
admet-28	143	6	and	and	CCONJ
admet-28	143	7	dynamic	dynamic	ADJ
admet-28	143	8	quenching	quenching	NOUN
admet-28	143	9	can	can	AUX
admet-28	143	10	be	be	AUX
admet-28	143	11	distinguished	distinguish	VERB
admet-28	143	12	on	on	ADP
admet-28	143	13	the	the	DET
admet-28	143	14	basis	basis	NOUN
admet-28	143	15	of	of	ADP
admet-28	143	16	different	different	ADJ
admet-28	143	17	temperature	temperature	NOUN
admet-28	143	18	and	and	CCONJ
admet-28	143	19	viscosity	viscosity	NOUN
admet-28	143	20	dependence	dependence	NOUN
admet-28	143	21	,	,	PUNCT
admet-28	143	22	as	as	ADV
admet-28	143	23	well	well	ADV
admet-28	143	24	as	as	ADP
admet-28	143	25	by	by	ADP
admet-28	143	26	lifetime	lifetime	NOUN
admet-28	143	27	measurements	measurement	NOUN
admet-28	143	28	.	.	PUNCT
admet-28	144	1	dynamic	dynamic	ADJ
admet-28	144	2	quenching	quenching	NOUN
admet-28	144	3	is	be	AUX
admet-28	144	4	highly	highly	ADV
admet-28	144	5	dependent	dependent	ADJ
admet-28	144	6	upon	upon	SCONJ
admet-28	144	7	diffusion	diffusion	NOUN
admet-28	144	8	.	.	PUNCT
admet-28	145	1	higher	high	ADJ
admet-28	145	2	temperatures	temperature	NOUN
admet-28	145	3	result	result	VERB
admet-28	145	4	in	in	ADP
admet-28	145	5	faster	fast	ADJ
admet-28	145	6	diffusion	diffusion	NOUN
admet-28	145	7	and	and	CCONJ
admet-28	145	8	hence	hence	ADV
admet-28	145	9	larger	large	ADJ
admet-28	145	10	values	value	NOUN
admet-28	145	11	for	for	ADP
admet-28	145	12	bimolecular	bimolecular	ADJ
admet-28	145	13	quenching	quenching	NOUN
admet-28	145	14	constant	constant	ADJ
admet-28	145	15	.	.	PUNCT
admet-28	146	1	on	on	ADP
admet-28	146	2	the	the	DET
admet-28	146	3	other	other	ADJ
admet-28	146	4	hand	hand	NOUN
admet-28	146	5	,	,	PUNCT
admet-28	146	6	higher	high	ADJ
admet-28	146	7	temperatures	temperature	NOUN
admet-28	146	8	will	will	AUX
admet-28	146	9	typically	typically	ADV
admet-28	146	10	result	result	VERB
admet-28	146	11	in	in	ADP
admet-28	146	12	a	a	DET
admet-28	146	13	dissociation	dissociation	NOUN
admet-28	146	14	of	of	ADP
admet-28	146	15	weakly	weakly	ADJ
admet-28	146	16	bound	bound	ADJ
admet-28	146	17	complexes	complex	NOUN
admet-28	146	18	,	,	PUNCT
admet-28	146	19	and	and	CCONJ
admet-28	146	20	therefore	therefore	ADV
admet-28	146	21	decrease	decrease	VERB
admet-28	146	22	bimolecular	bimolecular	ADJ
admet-28	146	23	quenching	quenching	NOUN
admet-28	146	24	constant	constant	ADJ
admet-28	146	25	in	in	ADP
admet-28	146	26	static	static	ADJ
admet-28	146	27	process	process	NOUN
admet-28	146	28	.	.	PUNCT
admet-28	147	1	stern	stern	ADJ
admet-28	147	2	-	-	PUNCT
admet-28	147	3	volmer	volmer	NOUN
admet-28	147	4	equation	equation	NOUN
admet-28	147	5	(	(	PUNCT
admet-28	147	6	2	2	X
admet-28	147	7	)	)	PUNCT
admet-28	147	8	can	can	AUX
admet-28	147	9	be	be	AUX
admet-28	147	10	used	use	VERB
admet-28	147	11	to	to	PART
admet-28	147	12	fit	fit	VERB
admet-28	147	13	experimental	experimental	ADJ
admet-28	147	14	data	datum	NOUN
admet-28	147	15	:	:	PUNCT
admet-28	147	16			ADJ
admet-28	147	17			ADP
admet-28	147	18			PROPN
admet-28	147	19			PROPN
admet-28	147	20			VERB
admet-28	147	21			PROPN
admet-28	147	22	0	0	VERB
admet-28	147	23	sv	sv	PROPN
admet-28	147	24	q	q	PROPN
admet-28	148	1	01	01	NUM
admet-28	148	2	1	1	NUM
admet-28	148	3	f	f	NOUN
admet-28	148	4	k	k	NOUN
admet-28	148	5	q	q	PUNCT
admet-28	149	1	k	k	X
admet-28	149	2	q	q	X
admet-28	149	3	f	f	X
admet-28	149	4	(	(	PUNCT
admet-28	149	5	2	2	NUM
admet-28	149	6	)	)	PUNCT
admet-28	149	7	where	where	SCONJ
admet-28	149	8	f0	f0	PROPN
admet-28	149	9	and	and	CCONJ
admet-28	149	10	f	f	PROPN
admet-28	149	11	represent	represent	VERB
admet-28	149	12	hsa	hsa	PROPN
admet-28	149	13	fluorescence	fluorescence	NOUN
admet-28	149	14	intensities	intensity	NOUN
admet-28	149	15	in	in	ADP
admet-28	149	16	absence	absence	NOUN
admet-28	149	17	(	(	PUNCT
admet-28	149	18	f0	f0	PROPN
admet-28	149	19	)	)	PUNCT
admet-28	149	20	,	,	PUNCT
admet-28	149	21	and	and	CCONJ
admet-28	149	22	in	in	ADP
admet-28	149	23	presence	presence	NOUN
admet-28	149	24	(	(	PUNCT
admet-28	149	25	f	f	X
admet-28	149	26	)	)	PUNCT
admet-28	149	27	of	of	ADP
admet-28	149	28	the	the	DET
admet-28	149	29	quencher	quencher	NOUN
admet-28	149	30	;	;	PUNCT
admet-28	149	31	ksv	ksv	PROPN
admet-28	149	32	is	be	AUX
admet-28	149	33	stern	stern	ADJ
admet-28	149	34	-	-	PUNCT
admet-28	149	35	volmer	volmer	NOUN
admet-28	149	36	quenching	quenching	NOUN
admet-28	149	37	constant	constant	ADJ
admet-28	149	38	(	(	PUNCT
admet-28	149	39	if	if	SCONJ
admet-28	149	40	the	the	DET
admet-28	149	41	quenching	quenching	NOUN
admet-28	149	42	is	be	AUX
admet-28	149	43	known	know	VERB
admet-28	149	44	to	to	PART
admet-28	149	45	be	be	AUX
admet-28	149	46	dynamic	dynamic	ADJ
admet-28	149	47	,	,	PUNCT
admet-28	149	48	the	the	DET
admet-28	149	49	stern	stern	ADJ
admet-28	149	50	-	-	PUNCT
admet-28	149	51	volmer	volmer	NOUN
admet-28	149	52	constant	constant	NOUN
admet-28	149	53	is	be	AUX
admet-28	149	54	represented	represent	VERB
admet-28	149	55	by	by	ADP
admet-28	149	56	kd	kd	PROPN
admet-28	149	57	,	,	PUNCT
admet-28	149	58	otherwise	otherwise	ADV
admet-28	149	59	this	this	DET
admet-28	149	60	constant	constant	NOUN
admet-28	149	61	is	be	AUX
admet-28	149	62	described	describe	VERB
admet-28	149	63	as	as	ADP
admet-28	149	64	ksv	ksv	PROPN
admet-28	149	65	.	.	PUNCT
admet-28	149	66	)	)	PUNCT
admet-28	149	67	,	,	PUNCT
admet-28	149	68	kq	kq	PROPN
admet-28	149	69	is	be	AUX
admet-28	149	70	the	the	DET
admet-28	149	71	bimolecular	bimolecular	ADJ
admet-28	149	72	quenching	quenching	NOUN
admet-28	149	73	constant	constant	ADJ
admet-28	149	74	,	,	PUNCT
admet-28	149	75	τ0	τ0	NOUN
admet-28	149	76	is	be	AUX
admet-28	149	77	the	the	DET
admet-28	149	78	lifetime	lifetime	NOUN
admet-28	149	79	of	of	ADP
admet-28	149	80	the	the	DET
admet-28	149	81	fluorophore	fluorophore	NOUN
admet-28	149	82	in	in	ADP
admet-28	149	83	the	the	DET
admet-28	149	84	absence	absence	NOUN
admet-28	149	85	of	of	ADP
admet-28	149	86	quencher	quencher	NOUN
admet-28	149	87	(	(	PUNCT
admet-28	149	88	in	in	ADP
admet-28	149	89	this	this	DET
admet-28	149	90	case	case	NOUN
admet-28	149	91	mean	mean	VERB
admet-28	149	92	fluorescence	fluorescence	ADJ
admet-28	149	93	lifetime	lifetime	NOUN
admet-28	149	94	for	for	ADP
admet-28	149	95	hsa	hsa	PROPN
admet-28	149	96	,	,	PUNCT
admet-28	149	97	τ0	τ0	NOUN
admet-28	149	98	=	=	PUNCT
admet-28	149	99	7.085	7.085	NUM
admet-28	149	100	±	±	NUM
admet-28	149	101	0.094	0.094	NUM
admet-28	149	102	ns	ns	NOUN
admet-28	150	1	[	[	X
admet-28	150	2	36	36	NUM
admet-28	150	3	]	]	NUM
admet-28	150	4	)	)	PUNCT
admet-28	150	5	,	,	PUNCT
admet-28	150	6	and	and	CCONJ
admet-28	150	7	[	[	X
admet-28	150	8	q	q	X
admet-28	150	9	]	]	X
admet-28	150	10	is	be	AUX
admet-28	150	11	the	the	DET
admet-28	150	12	concentration	concentration	NOUN
admet-28	150	13	of	of	ADP
admet-28	150	14	quencher	quencher	NOUN
admet-28	150	15	.	.	PUNCT
admet-28	151	1	the	the	DET
admet-28	151	2	plot	plot	NOUN
admet-28	151	3	f0	f0	PROPN
admet-28	151	4	/	/	SYM
admet-28	151	5	f	f	PROPN
admet-28	151	6	=	=	PUNCT
admet-28	151	7	f([q	f([q	PROPN
admet-28	151	8	]	]	PUNCT
admet-28	151	9	)	)	PUNCT
admet-28	151	10	at	at	ADP
admet-28	151	11	three	three	NUM
admet-28	151	12	temperatures	temperature	NOUN
admet-28	151	13	is	be	AUX
admet-28	151	14	shown	show	VERB
admet-28	151	15	on	on	ADP
admet-28	151	16	figure	figure	NOUN
admet-28	151	17	4	4	NUM
admet-28	151	18	.	.	PUNCT
admet-28	151	19	results	result	NOUN
admet-28	151	20	of	of	ADP
admet-28	151	21	linear	linear	ADJ
admet-28	151	22	regression	regression	NOUN
admet-28	151	23	analysis	analysis	NOUN
admet-28	151	24	are	be	AUX
admet-28	151	25	given	give	VERB
admet-28	151	26	in	in	ADP
admet-28	151	27	table	table	NOUN
admet-28	151	28	1	1	NUM
admet-28	151	29	.	.	PUNCT
admet-28	151	30	figure	figure	VERB
admet-28	151	31	4	4	NUM
admet-28	151	32	.	.	PUNCT
admet-28	151	33	stern	stern	ADJ
admet-28	151	34	-	-	PUNCT
admet-28	151	35	volmer	volmer	NOUN
admet-28	151	36	plots	plot	NOUN
admet-28	151	37	for	for	ADP
admet-28	151	38	hsa	hsa	PROPN
admet-28	151	39	+	+	PROPN
admet-28	151	40	comp	comp	NOUN
admet-28	151	41	.	.	PUNCT
admet-28	152	1	1	1	NUM
admet-28	152	2	titrations	titration	NOUN
admet-28	152	3	at	at	ADP
admet-28	152	4	different	different	ADJ
admet-28	152	5	temperatures	temperature	NOUN
admet-28	152	6	.	.	PUNCT
admet-28	153	1	chsa	chsa	NOUN
admet-28	154	1	=	=	SYM
admet-28	154	2	1	1	NUM
admet-28	154	3			NOUN
admet-28	154	4	10	10	NUM
admet-28	154	5	-6	-6	NOUN
admet-28	154	6	m	m	NOUN
admet-28	154	7	,	,	PUNCT
admet-28	154	8	c1	c1	PROPN
admet-28	154	9	=	=	PUNCT
admet-28	154	10	(	(	PUNCT
admet-28	154	11	0.5	0.5	NUM
admet-28	154	12	-	-	SYM
admet-28	154	13	13	13	NUM
admet-28	154	14	)	)	PUNCT
admet-28	154	15			NOUN
admet-28	154	16	10	10	NUM
admet-28	154	17	-6	-6	PROPN
admet-28	154	18	m.	m.	NOUN
admet-28	154	19	cvijetić	cvijetić	PROPN
admet-28	154	20	et.al	et.al	PROPN
admet-28	154	21	.	.	PUNCT
admet-28	155	1	admet	admet	PROPN
admet-28	155	2	&	&	CCONJ
admet-28	155	3	dmpk	dmpk	PROPN
admet-28	155	4	2(2	2(2	NUM
admet-28	155	5	)	)	PUNCT
admet-28	155	6	(	(	PUNCT
admet-28	155	7	2014	2014	NUM
admet-28	155	8	)	)	PUNCT
admet-28	155	9	126	126	NUM
admet-28	155	10	-	-	SYM
admet-28	155	11	142	142	NUM
admet-28	155	12	132	132	NUM
admet-28	155	13	table	table	NOUN
admet-28	155	14	1	1	NUM
admet-28	155	15	.	.	PUNCT
admet-28	156	1	linear	linear	ADJ
admet-28	156	2	regression	regression	NOUN
admet-28	156	3	analysis	analysis	NOUN
admet-28	156	4	for	for	ADP
admet-28	156	5	f0	f0	PROPN
admet-28	156	6	/	/	SYM
admet-28	156	7	f	f	PROPN
admet-28	156	8	=	=	PUNCT
admet-28	156	9	f([q	f([q	NOUN
admet-28	156	10	]	]	PUNCT
admet-28	156	11	)	)	PUNCT
admet-28	156	12	function	function	NOUN
admet-28	156	13	(	(	PUNCT
admet-28	156	14	equation	equation	NOUN
admet-28	156	15	2	2	NUM
admet-28	156	16	)	)	PUNCT
admet-28	156	17	at	at	ADP
admet-28	156	18	different	different	ADJ
admet-28	156	19	temperatures	temperature	NOUN
admet-28	156	20	(	(	PUNCT
admet-28	156	21	figure	figure	NOUN
admet-28	156	22	4	4	NUM
admet-28	156	23	)	)	PUNCT
admet-28	156	24	;	;	PUNCT
admet-28	156	25	τ0	τ0	NOUN
admet-28	156	26	=	=	PUNCT
admet-28	156	27	7.085	7.085	NUM
admet-28	156	28	±	±	NUM
admet-28	156	29	0.094	0.094	NUM
admet-28	156	30	ns	ns	NUM
admet-28	156	31	.	.	PROPN
admet-28	156	32	t	t	PROPN
admet-28	156	33	(	(	PUNCT
admet-28	156	34	k	k	NOUN
admet-28	156	35	)	)	PUNCT
admet-28	156	36	ksv	ksv	NOUN
admet-28	156	37	±	±	PROPN
admet-28	156	38	sd	sd	PROPN
admet-28	156	39	(	(	PUNCT
admet-28	156	40	m-1	m-1	NOUN
admet-28	156	41	)	)	PUNCT
admet-28	156	42	kq	kq	PROPN
admet-28	156	43	±	±	PROPN
admet-28	156	44	sd	sd	PROPN
admet-28	156	45	(	(	PUNCT
admet-28	156	46	m-1	m-1	PROPN
admet-28	156	47	s-1	s-1	PROPN
admet-28	156	48	)	)	PUNCT
admet-28	156	49	r2	r2	PROPN
admet-28	156	50	293	293	NUM
admet-28	156	51	(	(	PUNCT
admet-28	156	52	1.07	1.07	NUM
admet-28	156	53	±	±	NUM
admet-28	156	54	0.02	0.02	NUM
admet-28	156	55	)	)	PUNCT
admet-28	156	56			VERB
admet-28	156	57	105	105	NUM
admet-28	156	58	(	(	PUNCT
admet-28	156	59	1.51	1.51	NUM
admet-28	156	60	±	±	NUM
admet-28	156	61	0.03	0.03	NUM
admet-28	156	62	)	)	PUNCT
admet-28	157	1			NOUN
admet-28	157	2	1013	1013	NUM
admet-28	157	3	0.999	0.999	NUM
admet-28	157	4	298	298	NUM
admet-28	157	5	(	(	PUNCT
admet-28	157	6	8.7	8.7	NUM
admet-28	157	7	±	±	NUM
admet-28	157	8	0.1	0.1	NUM
admet-28	157	9	)	)	PUNCT
admet-28	158	1			VERB
admet-28	158	2	104	104	NUM
admet-28	158	3	(	(	PUNCT
admet-28	158	4	1.2	1.2	NUM
admet-28	158	5	±	±	NUM
admet-28	158	6	0.2	0.2	NUM
admet-28	158	7	)	)	PUNCT
admet-28	159	1			VERB
admet-28	159	2	1013	1013	NUM
admet-28	159	3	0.999	0.999	NUM
admet-28	159	4	310	310	NUM
admet-28	159	5	(	(	PUNCT
admet-28	159	6	4.2	4.2	NUM
admet-28	159	7	±	±	NUM
admet-28	159	8	0.2	0.2	NUM
admet-28	159	9	)	)	PUNCT
admet-28	160	1			VERB
admet-28	161	1	104	104	NUM
admet-28	162	1	(	(	PUNCT
admet-28	162	2	5.9	5.9	NUM
admet-28	162	3	±	±	NUM
admet-28	162	4	0.3	0.3	NUM
admet-28	162	5	)	)	PUNCT
admet-28	162	6			VERB
admet-28	162	7	1012	1012	NUM
admet-28	162	8	0.999	0.999	NUM
admet-28	162	9	stern	stern	ADJ
admet-28	162	10	-	-	PUNCT
admet-28	162	11	volmer	volmer	NOUN
admet-28	162	12	plots	plot	NOUN
admet-28	162	13	(	(	PUNCT
admet-28	162	14	figure	figure	NOUN
admet-28	162	15	4	4	NUM
admet-28	162	16	)	)	PUNCT
admet-28	162	17	show	show	VERB
admet-28	162	18	good	good	ADJ
admet-28	162	19	linearity	linearity	NOUN
admet-28	162	20	,	,	PUNCT
admet-28	162	21	indicating	indicate	VERB
admet-28	162	22	single	single	ADJ
admet-28	162	23	quenching	quenching	NOUN
admet-28	162	24	type	type	NOUN
admet-28	162	25	(	(	PUNCT
admet-28	162	26	static	static	ADJ
admet-28	162	27	or	or	CCONJ
admet-28	162	28	dynamic	dynamic	ADJ
admet-28	162	29	)	)	PUNCT
admet-28	162	30	.	.	PUNCT
admet-28	163	1	as	as	SCONJ
admet-28	163	2	it	it	PRON
admet-28	163	3	can	can	AUX
admet-28	163	4	be	be	AUX
admet-28	163	5	seen	see	VERB
admet-28	163	6	from	from	ADP
admet-28	163	7	table	table	NOUN
admet-28	163	8	1	1	NUM
admet-28	163	9	,	,	PUNCT
admet-28	163	10	stern	stern	ADJ
admet-28	163	11	-	-	PUNCT
admet-28	163	12	volmer	volmer	NOUN
admet-28	163	13	quenching	quenching	NOUN
admet-28	163	14	constant	constant	ADJ
admet-28	163	15	,	,	PUNCT
admet-28	163	16	ksv	ksv	PROPN
admet-28	163	17	,	,	PUNCT
admet-28	163	18	decreases	decrease	VERB
admet-28	163	19	as	as	SCONJ
admet-28	163	20	temperature	temperature	NOUN
admet-28	163	21	is	be	AUX
admet-28	163	22	increased	increase	VERB
admet-28	163	23	,	,	PUNCT
admet-28	163	24	and	and	CCONJ
admet-28	163	25	the	the	DET
admet-28	163	26	quenching	quenching	NOUN
admet-28	163	27	rate	rate	NOUN
admet-28	163	28	constant	constant	ADJ
admet-28	163	29	,	,	PUNCT
admet-28	163	30	kq	kq	PROPN
admet-28	163	31	,	,	PUNCT
admet-28	163	32	values	value	NOUN
admet-28	163	33	are	be	AUX
admet-28	163	34	higher	high	ADJ
admet-28	163	35	than	than	ADP
admet-28	163	36	the	the	DET
admet-28	163	37	maximum	maximum	ADJ
admet-28	163	38	scatter	scatter	NOUN
admet-28	163	39	collision	collision	NOUN
admet-28	163	40	quenching	quench	VERB
admet-28	163	41	constant	constant	ADJ
admet-28	163	42	value	value	NOUN
admet-28	163	43	(	(	PUNCT
admet-28	163	44	2	2	NUM
admet-28	163	45			NOUN
admet-28	163	46	1010	1010	NUM
admet-28	163	47	m-1	m-1	PROPN
admet-28	163	48	s-1	s-1	PROPN
admet-28	163	49	)	)	PUNCT
admet-28	164	1	[	[	X
admet-28	164	2	37	37	NUM
admet-28	164	3	]	]	PUNCT
admet-28	164	4	.	.	PUNCT
admet-28	165	1	all	all	DET
admet-28	165	2	these	these	DET
admet-28	165	3	findings	finding	NOUN
admet-28	165	4	confirm	confirm	VERB
admet-28	165	5	that	that	SCONJ
admet-28	165	6	the	the	DET
admet-28	165	7	quenching	quenching	NOUN
admet-28	165	8	mechanism	mechanism	NOUN
admet-28	165	9	in	in	ADP
admet-28	165	10	comp	comp	NOUN
admet-28	165	11	.	.	PUNCT
admet-28	166	1	1	1	NUM
admet-28	166	2	/	/	SYM
admet-28	166	3	hsa	hsa	PROPN
admet-28	166	4	interaction	interaction	NOUN
admet-28	166	5	is	be	AUX
admet-28	166	6	static	static	ADJ
admet-28	166	7	.	.	PUNCT
admet-28	167	1	3.2	3.2	NUM
admet-28	167	2	.	.	PUNCT
admet-28	167	3	analysis	analysis	NOUN
admet-28	167	4	of	of	ADP
admet-28	167	5	binding	bind	VERB
admet-28	167	6	equilibria	equilibrium	NOUN
admet-28	167	7	–	–	PUNCT
admet-28	167	8	binding	bind	VERB
admet-28	167	9	constant	constant	ADJ
admet-28	167	10	and	and	CCONJ
admet-28	167	11	the	the	DET
admet-28	167	12	number	number	NOUN
admet-28	167	13	of	of	ADP
admet-28	167	14	binding	bind	VERB
admet-28	167	15	sites	site	NOUN
admet-28	167	16	in	in	ADP
admet-28	167	17	order	order	NOUN
admet-28	167	18	to	to	PART
admet-28	167	19	determine	determine	VERB
admet-28	167	20	preferable	preferable	ADJ
admet-28	167	21	binding	bind	VERB
admet-28	167	22	site	site	NOUN
admet-28	167	23	of	of	ADP
admet-28	167	24	comp	comp	NOUN
admet-28	167	25	.	.	PUNCT
admet-28	168	1	1	1	NUM
admet-28	168	2	to	to	ADP
admet-28	168	3	hsa	hsa	PROPN
admet-28	168	4	,	,	PUNCT
admet-28	168	5	competitive	competitive	ADJ
admet-28	168	6	binding	binding	ADJ
admet-28	168	7	experiments	experiment	NOUN
admet-28	168	8	were	be	AUX
admet-28	168	9	performed	perform	VERB
admet-28	168	10	.	.	PUNCT
admet-28	169	1	warfarin	warfarin	NOUN
admet-28	169	2	was	be	AUX
admet-28	169	3	used	use	VERB
admet-28	169	4	as	as	ADP
admet-28	169	5	a	a	DET
admet-28	169	6	sudlow	sudlow	ADJ
admet-28	169	7	site	site	NOUN
admet-28	169	8	i	i	PRON
admet-28	169	9	probe	probe	VERB
admet-28	169	10	,	,	PUNCT
admet-28	169	11	and	and	CCONJ
admet-28	169	12	ibuprofen	ibuprofen	NOUN
admet-28	169	13	as	as	ADP
admet-28	169	14	a	a	DET
admet-28	169	15	sudlow	sudlow	ADJ
admet-28	169	16	site	site	NOUN
admet-28	169	17	ii	ii	PROPN
admet-28	169	18	probe	probe	NOUN
admet-28	169	19	.	.	PUNCT
admet-28	170	1	hsa	hsa	PROPN
admet-28	170	2	-	-	PUNCT
admet-28	170	3	site	site	NOUN
admet-28	170	4	probe	probe	NOUN
admet-28	170	5	complexes	complex	NOUN
admet-28	170	6	were	be	AUX
admet-28	170	7	titrated	titrate	VERB
admet-28	170	8	with	with	ADP
admet-28	170	9	comp	comp	NOUN
admet-28	170	10	.	.	PUNCT
admet-28	171	1	1	1	NUM
admet-28	171	2	and	and	CCONJ
admet-28	171	3	fluorescence	fluorescence	PROPN
admet-28	171	4	emission	emission	NOUN
admet-28	171	5	spectra	spectra	PROPN
admet-28	171	6	recorded	record	VERB
admet-28	171	7	.	.	PUNCT
admet-28	172	1	results	result	NOUN
admet-28	172	2	are	be	AUX
admet-28	172	3	shown	show	VERB
admet-28	172	4	on	on	ADP
admet-28	172	5	figure	figure	NOUN
admet-28	172	6	5	5	NUM
admet-28	172	7	.	.	PUNCT
admet-28	172	8	figure	figure	NOUN
admet-28	172	9	5	5	NUM
admet-28	172	10	.	.	PUNCT
admet-28	173	1	fluorescence	fluorescence	PROPN
admet-28	173	2	emission	emission	NOUN
admet-28	173	3	spectra	spectra	NOUN
admet-28	173	4	of	of	ADP
admet-28	173	5	:	:	PUNCT
admet-28	173	6	a	a	X
admet-28	173	7	)	)	PUNCT
admet-28	173	8	hsa	hsa	PROPN
admet-28	173	9	-	-	PUNCT
admet-28	173	10	ibuprofen	ibuprofen	NOUN
admet-28	173	11	complex	complex	NOUN
admet-28	173	12	(	(	PUNCT
admet-28	173	13	chsa	chsa	NOUN
admet-28	173	14	=	=	SYM
admet-28	173	15	1	1	NUM
admet-28	173	16			NOUN
admet-28	173	17	10	10	NUM
admet-28	173	18	-6	-6	NOUN
admet-28	173	19	m	m	NOUN
admet-28	173	20	,	,	PUNCT
admet-28	173	21	cibu	cibu	ADJ
admet-28	174	1	=	=	SYM
admet-28	174	2	1	1	NUM
admet-28	174	3			PROPN
admet-28	174	4	10	10	NUM
admet-28	174	5	-6	-6	NOUN
admet-28	174	6	m	m	NOUN
admet-28	174	7	)	)	PUNCT
admet-28	174	8	and	and	CCONJ
admet-28	174	9	b	b	X
admet-28	174	10	)	)	PUNCT
admet-28	174	11	hsa	hsa	NOUN
admet-28	174	12	-	-	PUNCT
admet-28	174	13	warfarin	warfarin	NOUN
admet-28	174	14	complex	complex	NOUN
admet-28	174	15	(	(	PUNCT
admet-28	174	16	chsa	chsa	NOUN
admet-28	174	17	=	=	SYM
admet-28	174	18	1	1	NUM
admet-28	174	19			NOUN
admet-28	174	20	10	10	NUM
admet-28	174	21	-6	-6	NOUN
admet-28	174	22	m	m	NOUN
admet-28	174	23	,	,	PUNCT
admet-28	174	24	cwarf	cwarf	VERB
admet-28	174	25	=	=	SYM
admet-28	174	26	1	1	NUM
admet-28	174	27			NOUN
admet-28	174	28	10	10	NUM
admet-28	174	29	-6	-6	NOUN
admet-28	174	30	m	m	VERB
admet-28	174	31	)	)	PUNCT
admet-28	174	32	titrated	titrate	VERB
admet-28	174	33	with	with	ADP
admet-28	174	34	comp	comp	NOUN
admet-28	174	35	.	.	PUNCT
admet-28	175	1	1	1	NUM
admet-28	175	2	(	(	PUNCT
admet-28	175	3	1	1	NUM
admet-28	175	4	-	-	SYM
admet-28	175	5	20	20	NUM
admet-28	175	6	mol	mol	ADP
admet-28	175	7	equivalents	equivalent	NOUN
admet-28	175	8	)	)	PUNCT
admet-28	175	9	;	;	PUNCT
admet-28	176	1	t	t	X
admet-28	176	2	=	=	SYM
admet-28	176	3	37±1	37±1	PROPN
admet-28	176	4	c	c	VERB
admet-28	176	5	,	,	PUNCT
admet-28	176	6	ph=7.34	ph=7.34	NOUN
admet-28	176	7	(	(	PUNCT
admet-28	176	8	1	1	NUM
admet-28	176	9	pbs	pbs	PROPN
admet-28	176	10	)	)	PUNCT
admet-28	176	11	.	.	PUNCT
admet-28	177	1	when	when	SCONJ
admet-28	177	2	small	small	ADJ
admet-28	177	3	molecules	molecule	NOUN
admet-28	177	4	bind	bind	VERB
admet-28	177	5	independently	independently	ADV
admet-28	177	6	to	to	ADP
admet-28	177	7	a	a	DET
admet-28	177	8	set	set	NOUN
admet-28	177	9	of	of	ADP
admet-28	177	10	equivalent	equivalent	ADJ
admet-28	177	11	sites	site	NOUN
admet-28	177	12	of	of	ADP
admet-28	177	13	the	the	DET
admet-28	177	14	protein	protein	NOUN
admet-28	177	15	(	(	PUNCT
admet-28	177	16	each	each	DET
admet-28	177	17	binding	bind	VERB
admet-28	177	18	site	site	NOUN
admet-28	177	19	has	have	VERB
admet-28	177	20	the	the	DET
admet-28	177	21	same	same	ADJ
admet-28	177	22	capacity	capacity	NOUN
admet-28	177	23	for	for	ADP
admet-28	177	24	binding	bind	VERB
admet-28	177	25	of	of	ADP
admet-28	177	26	a	a	DET
admet-28	177	27	quencher	quencher	NOUN
admet-28	177	28	)	)	PUNCT
admet-28	177	29	,	,	PUNCT
admet-28	177	30	the	the	DET
admet-28	177	31	equilibrium	equilibrium	NOUN
admet-28	177	32	between	between	ADP
admet-28	177	33	free	free	ADJ
admet-28	177	34	and	and	CCONJ
admet-28	177	35	bound	bind	VERB
admet-28	177	36	molecules	molecule	NOUN
admet-28	177	37	for	for	ADP
admet-28	177	38	the	the	DET
admet-28	177	39	static	static	ADJ
admet-28	177	40	quenching	quenching	NOUN
admet-28	177	41	process	process	NOUN
admet-28	177	42	is	be	AUX
admet-28	177	43	given	give	VERB
admet-28	177	44	by	by	ADP
admet-28	177	45	modified	modify	VERB
admet-28	177	46	stern	stern	ADJ
admet-28	177	47	-	-	PUNCT
admet-28	177	48	volmer	volmer	NOUN
admet-28	177	49	equation	equation	NOUN
admet-28	177	50	(	(	PUNCT
admet-28	177	51	3	3	NUM
admet-28	177	52	):	):	PUNCT
admet-28	177	53			ADJ
admet-28	177	54			ADP
admet-28	177	55			PROPN
admet-28	177	56	0	0	PROPN
admet-28	177	57	blog	blog	NOUN
admet-28	177	58	log	log	NOUN
admet-28	177	59	log	log	NOUN
admet-28	177	60	q	q	PROPN
admet-28	178	1	f	f	PROPN
admet-28	178	2	f	f	PROPN
admet-28	178	3	k	k	PROPN
admet-28	178	4	n	n	PROPN
admet-28	178	5	f	f	X
admet-28	178	6	(	(	PUNCT
admet-28	178	7	3	3	NUM
admet-28	178	8	)	)	PUNCT
admet-28	178	9	where	where	SCONJ
admet-28	178	10	f0	f0	PROPN
admet-28	178	11	and	and	CCONJ
admet-28	178	12	f	f	PROPN
admet-28	178	13	are	be	AUX
admet-28	178	14	corrected	correct	VERB
admet-28	178	15	fluorescence	fluorescence	ADJ
admet-28	178	16	intensities	intensity	NOUN
admet-28	178	17	,	,	PUNCT
admet-28	178	18	in	in	ADP
admet-28	178	19	the	the	DET
admet-28	178	20	absence	absence	NOUN
admet-28	178	21	and	and	CCONJ
admet-28	178	22	in	in	ADP
admet-28	178	23	the	the	DET
admet-28	178	24	presence	presence	NOUN
admet-28	178	25	of	of	ADP
admet-28	178	26	a	a	DET
admet-28	178	27	quencher	quencher	NOUN
admet-28	178	28	,	,	PUNCT
admet-28	178	29	respectively	respectively	ADV
admet-28	178	30	;	;	PUNCT
admet-28	178	31	kb	kb	PROPN
admet-28	178	32	is	be	AUX
admet-28	178	33	binding	bind	VERB
admet-28	178	34	constant	constant	ADJ
admet-28	178	35	,	,	PUNCT
admet-28	178	36	and	and	CCONJ
admet-28	178	37	n	n	PRON
admet-28	178	38	is	be	AUX
admet-28	178	39	the	the	DET
admet-28	178	40	number	number	NOUN
admet-28	178	41	of	of	ADP
admet-28	178	42	binding	bind	VERB
admet-28	178	43	sites	site	NOUN
admet-28	178	44	.	.	PUNCT
admet-28	179	1	linear	linear	ADJ
admet-28	179	2	dependence	dependence	NOUN
admet-28	179	3	log(f0	log(f0	NOUN
admet-28	179	4	-	-	PUNCT
admet-28	179	5	f)/f	f)/f	NOUN
admet-28	179	6	=	=	SYM
admet-28	179	7	f(log[q	f(log[q	NOUN
admet-28	179	8	]	]	PUNCT
admet-28	179	9	)	)	PUNCT
admet-28	179	10	,	,	PUNCT
admet-28	179	11	shown	show	VERB
admet-28	179	12	on	on	ADP
admet-28	179	13	figure	figure	NOUN
admet-28	179	14	6	6	NUM
admet-28	179	15	,	,	PUNCT
admet-28	179	16	is	be	AUX
admet-28	179	17	used	use	VERB
admet-28	179	18	to	to	PART
admet-28	179	19	obtain	obtain	VERB
admet-28	179	20	apparent	apparent	ADJ
admet-28	179	21	binding	binding	ADJ
admet-28	179	22	constant	constant	ADJ
admet-28	179	23	values	value	NOUN
admet-28	179	24	and	and	CCONJ
admet-28	179	25	the	the	DET
admet-28	179	26	number	number	NOUN
admet-28	179	27	of	of	ADP
admet-28	179	28	binding	bind	VERB
admet-28	179	29	sites	site	NOUN
admet-28	179	30	.	.	PUNCT
admet-28	180	1	results	result	NOUN
admet-28	180	2	are	be	AUX
admet-28	180	3	shown	show	VERB
admet-28	180	4	in	in	ADP
admet-28	180	5	table	table	NOUN
admet-28	180	6	2	2	NUM
admet-28	180	7	.	.	X
admet-28	180	8	admet	admet	PROPN
admet-28	180	9	&	&	CCONJ
admet-28	180	10	dmpk	dmpk	PROPN
admet-28	180	11	2(2	2(2	NUM
admet-28	180	12	)	)	PUNCT
admet-28	180	13	(	(	PUNCT
admet-28	180	14	2014	2014	NUM
admet-28	180	15	)	)	PUNCT
admet-28	180	16	126	126	NUM
admet-28	180	17	-	-	SYM
admet-28	180	18	142	142	NUM
admet-28	180	19	hsa	hsa	PROPN
admet-28	180	20	binding	bind	VERB
admet-28	180	21	doi	doi	NOUN
admet-28	180	22	:	:	PUNCT
admet-28	180	23	10.5599	10.5599	NUM
admet-28	180	24	/	/	SYM
admet-28	180	25	admet.2.2.28	admet.2.2.28	NOUN
admet-28	180	26	133	133	NUM
admet-28	180	27	figure	figure	NOUN
admet-28	180	28	6	6	NUM
admet-28	180	29	.	.	PUNCT
admet-28	180	30	modified	modify	VERB
admet-28	180	31	stern	stern	ADJ
admet-28	180	32	-	-	PUNCT
admet-28	180	33	volmer	volmer	NOUN
admet-28	180	34	plot	plot	NOUN
admet-28	180	35	(	(	PUNCT
admet-28	180	36	equation	equation	NOUN
admet-28	180	37	3	3	NUM
admet-28	180	38	)	)	PUNCT
admet-28	180	39	for	for	ADP
admet-28	180	40	the	the	DET
admet-28	180	41	apparent	apparent	ADJ
admet-28	180	42	binding	bind	VERB
admet-28	180	43	constant	constant	ADJ
admet-28	180	44	(	(	PUNCT
admet-28	180	45	kb	kb	PROPN
admet-28	180	46	)	)	PUNCT
admet-28	180	47	and	and	CCONJ
admet-28	180	48	the	the	DET
admet-28	180	49	number	number	NOUN
admet-28	180	50	of	of	ADP
admet-28	180	51	binding	bind	VERB
admet-28	180	52	sites	site	NOUN
admet-28	180	53	(	(	PUNCT
admet-28	180	54	n	n	CCONJ
admet-28	180	55	)	)	PUNCT
admet-28	180	56	determination	determination	NOUN
admet-28	180	57	in	in	ADP
admet-28	180	58	hsa	hsa	PROPN
admet-28	180	59	/	/	SYM
admet-28	180	60	comp	comp	NOUN
admet-28	180	61	.	.	PUNCT
admet-28	181	1	1	1	NUM
admet-28	181	2	interaction	interaction	NOUN
admet-28	181	3	;	;	PUNCT
admet-28	181	4	static	static	ADJ
admet-28	181	5	quenching	quenching	NOUN
admet-28	181	6	mechanism	mechanism	NOUN
admet-28	181	7	was	be	AUX
admet-28	181	8	assumed	assume	VERB
admet-28	181	9	;	;	PUNCT
admet-28	181	10	t	t	PROPN
admet-28	181	11	=	=	SYM
admet-28	181	12	37±1	37±1	PROPN
admet-28	181	13	c	c	ADJ
admet-28	181	14	.	.	PUNCT
admet-28	181	15	table	table	NOUN
admet-28	181	16	2	2	NUM
admet-28	181	17	.	.	PUNCT
admet-28	181	18	apparent	apparent	ADJ
admet-28	181	19	binding	binding	ADJ
admet-28	181	20	constants	constant	NOUN
admet-28	181	21	for	for	ADP
admet-28	181	22	comp	comp	NOUN
admet-28	181	23	.	.	PUNCT
admet-28	182	1	1	1	NUM
admet-28	182	2	/	/	SYM
admet-28	182	3	hsa	hsa	PROPN
admet-28	182	4	(	(	PUNCT
admet-28	182	5	blank	blank	NOUN
admet-28	182	6	)	)	PUNCT
admet-28	182	7	,	,	PUNCT
admet-28	182	8	comp	comp	NOUN
admet-28	182	9	.	.	PUNCT
admet-28	183	1	1	1	NUM
admet-28	183	2	/	/	SYM
admet-28	183	3	hsa	hsa	NOUN
admet-28	183	4	-	-	PUNCT
admet-28	183	5	warfarin	warfarin	NOUN
admet-28	183	6	,	,	PUNCT
admet-28	183	7	and	and	CCONJ
admet-28	183	8	comp	comp	NOUN
admet-28	183	9	.	.	PUNCT
admet-28	184	1	1	1	NUM
admet-28	184	2	/	/	SYM
admet-28	184	3	hsa	hsa	PROPN
admet-28	184	4	-	-	PUNCT
admet-28	184	5	ibuprofen	ibuprofen	NOUN
admet-28	184	6	interactions	interaction	NOUN
admet-28	184	7	;	;	PUNCT
admet-28	184	8	t	t	X
admet-28	184	9	=	=	SYM
admet-28	184	10	37±1	37±1	PROPN
admet-28	184	11	c	c	ADJ
admet-28	184	12	.	.	PUNCT
admet-28	185	1	logkb	logkb	PROPN
admet-28	185	2	±	±	PROPN
admet-28	185	3	sd	sd	ADP
admet-28	185	4	kb	kb	PROPN
admet-28	185	5	±	±	PROPN
admet-28	185	6	sd	sd	PROPN
admet-28	185	7	(	(	PUNCT
admet-28	185	8	m	m	NOUN
admet-28	185	9	)	)	PUNCT
admet-28	185	10	n	n	PRON
admet-28	185	11	±	±	NUM
admet-28	185	12	sd	sd	ADP
admet-28	185	13	r2	r2	PROPN
admet-28	185	14	blank	blank	VERB
admet-28	185	15	4.45	4.45	NUM
admet-28	185	16	±	±	NUM
admet-28	185	17	0.07	0.07	NUM
admet-28	185	18	0	0	NUM
admet-28	185	19	5	5	NUM
admet-28	185	20	4	4	NUM
admet-28	185	21	0	0	NUM
admet-28	185	22	42	42	NUM
admet-28	185	23	8	8	NUM
admet-28	185	24	10	10	NUM
admet-28	185	25	.	.	PUNCT
admet-28	186	1	..	..	PUNCT
admet-28	186	2			PROPN
admet-28	186	3			PROPN
admet-28	186	4			PROPN
admet-28	186	5	0.94	0.94	NUM
admet-28	186	6	±	±	NUM
admet-28	186	7	0.01	0.01	NUM
admet-28	186	8	0.999	0.999	NUM
admet-28	186	9	ibuprofen	ibuprofen	NOUN
admet-28	186	10	4.2	4.2	NUM
admet-28	186	11	±	±	NUM
admet-28	186	12	0.1	0.1	NUM
admet-28	186	13	0	0	NUM
admet-28	186	14	5	5	NUM
admet-28	186	15	4	4	NUM
admet-28	186	16	0	0	NUM
admet-28	186	17	41	41	NUM
admet-28	186	18	5	5	NUM
admet-28	186	19	10	10	NUM
admet-28	186	20	.	.	PUNCT
admet-28	187	1	..	..	PUNCT
admet-28	188	1			PUNCT
admet-28	188	2			PROPN
admet-28	188	3			PROPN
admet-28	188	4	0.90	0.90	NUM
admet-28	188	5	±	±	NUM
admet-28	188	6	0.02	0.02	NUM
admet-28	188	7	0.995	0.995	NUM
admet-28	188	8	warfarin	warfarin	NOUN
admet-28	188	9	2.2	2.2	NUM
admet-28	188	10	±	±	NUM
admet-28	188	11	0.3	0.3	NUM
admet-28	188	12	1	1	NUM
admet-28	188	13	2	2	NUM
admet-28	188	14	2	2	NUM
admet-28	188	15	0	0	NUM
admet-28	188	16	71	71	NUM
admet-28	188	17	6	6	NUM
admet-28	188	18	10	10	NUM
admet-28	188	19	.	.	PUNCT
admet-28	188	20	..	..	PUNCT
admet-28	189	1			PUNCT
admet-28	189	2			PROPN
admet-28	189	3			PROPN
admet-28	189	4	0.62	0.62	NUM
admet-28	189	5	±	±	NUM
admet-28	189	6	0.05	0.05	NUM
admet-28	189	7	0.961	0.961	NUM
admet-28	189	8	binding	bind	VERB
admet-28	189	9	constant	constant	ADJ
admet-28	189	10	for	for	ADP
admet-28	189	11	hsa	hsa	PROPN
admet-28	189	12	–	–	PUNCT
admet-28	189	13	(	(	PUNCT
admet-28	189	14	r	r	NOUN
admet-28	189	15	,	,	PUNCT
admet-28	189	16	s)-warfarin	s)-warfarin	VERB
admet-28	189	17	at	at	ADP
admet-28	189	18	37±1	37±1	PROPN
admet-28	189	19	c	c	PROPN
admet-28	189	20	was	be	AUX
admet-28	189	21	also	also	ADV
admet-28	189	22	experimentally	experimentally	ADV
admet-28	189	23	determined	determine	VERB
admet-28	189	24	(	(	PUNCT
admet-28	189	25	logkb	logkb	NOUN
admet-28	189	26	=	=	SYM
admet-28	189	27	3.4	3.4	NUM
admet-28	189	28	±	±	NUM
admet-28	189	29	0.3	0.3	NUM
admet-28	189	30	)	)	PUNCT
admet-28	189	31	.	.	PUNCT
admet-28	190	1	in	in	ADP
admet-28	190	2	order	order	NOUN
admet-28	190	3	to	to	PART
admet-28	190	4	check	check	VERB
admet-28	190	5	how	how	SCONJ
admet-28	190	6	small	small	ADJ
admet-28	190	7	structural	structural	ADJ
admet-28	190	8	variations	variation	NOUN
admet-28	190	9	influence	influence	VERB
admet-28	190	10	binding	bind	VERB
admet-28	190	11	affinity	affinity	NOUN
admet-28	190	12	and	and	CCONJ
admet-28	190	13	selectivity	selectivity	NOUN
admet-28	190	14	,	,	PUNCT
admet-28	190	15	mono	mono	NOUN
admet-28	190	16	-	-	PUNCT
admet-28	190	17	me	i	PRON
admet-28	190	18	ester	ester	NOUN
admet-28	190	19	of	of	ADP
admet-28	190	20	comp	comp	NOUN
admet-28	190	21	.	.	PUNCT
admet-28	190	22	1	1	NUM
admet-28	190	23	(	(	PUNCT
admet-28	190	24	figure	figure	NOUN
admet-28	190	25	1	1	NUM
admet-28	190	26	)	)	PUNCT
admet-28	190	27	was	be	AUX
admet-28	190	28	synthesized	synthesize	VERB
admet-28	190	29	.	.	PUNCT
admet-28	191	1	comparing	compare	VERB
admet-28	191	2	to	to	ADP
admet-28	191	3	comp	comp	NOUN
admet-28	191	4	.	.	PUNCT
admet-28	192	1	1	1	NUM
admet-28	192	2	,	,	PUNCT
admet-28	192	3	newly	newly	ADV
admet-28	192	4	prepared	prepare	VERB
admet-28	192	5	compound	compound	NOUN
admet-28	192	6	(	(	PUNCT
admet-28	192	7	2	2	NUM
admet-28	192	8	)	)	PUNCT
admet-28	192	9	has	have	VERB
admet-28	192	10	only	only	ADV
admet-28	192	11	one	one	NUM
admet-28	192	12	ionisable	ionisable	ADJ
admet-28	192	13	(	(	PUNCT
admet-28	192	14	–	–	PUNCT
admet-28	192	15	cooh	cooh	NOUN
admet-28	192	16	)	)	PUNCT
admet-28	192	17	group	group	NOUN
admet-28	192	18	.	.	PUNCT
admet-28	193	1	compounds	compound	VERB
admet-28	193	2	1	1	NUM
admet-28	193	3	and	and	CCONJ
admet-28	193	4	2	2	NUM
admet-28	193	5	have	have	VERB
admet-28	193	6	similar	similar	ADJ
admet-28	193	7	molecular	molecular	ADJ
admet-28	193	8	volumes	volume	NOUN
admet-28	193	9	and	and	CCONJ
admet-28	193	10	formally	formally	ADV
admet-28	193	11	the	the	DET
admet-28	193	12	same	same	ADJ
admet-28	193	13	number	number	NOUN
admet-28	193	14	of	of	ADP
admet-28	193	15	h	h	NOUN
admet-28	193	16	-	-	PUNCT
admet-28	193	17	bond	bond	NOUN
admet-28	193	18	acceptors	acceptor	NOUN
admet-28	193	19	.	.	PUNCT
admet-28	194	1	the	the	DET
admet-28	194	2	same	same	ADJ
admet-28	194	3	set	set	NOUN
admet-28	194	4	of	of	ADP
admet-28	194	5	competitive	competitive	ADJ
admet-28	194	6	binding	bind	VERB
admet-28	194	7	experiments	experiment	NOUN
admet-28	194	8	was	be	AUX
admet-28	194	9	performed	perform	VERB
admet-28	194	10	;	;	PUNCT
admet-28	194	11	results	result	NOUN
admet-28	194	12	are	be	AUX
admet-28	194	13	shown	show	VERB
admet-28	194	14	on	on	ADP
admet-28	194	15	figures	figure	NOUN
admet-28	194	16	7	7	NUM
admet-28	194	17	and	and	CCONJ
admet-28	194	18	8	8	NUM
admet-28	194	19	,	,	PUNCT
admet-28	194	20	and	and	CCONJ
admet-28	194	21	in	in	ADP
admet-28	194	22	table	table	NOUN
admet-28	194	23	3	3	NUM
admet-28	194	24	.	.	PUNCT
admet-28	194	25	figure	figure	NOUN
admet-28	194	26	7	7	NUM
admet-28	194	27	.	.	PUNCT
admet-28	195	1	fluorescence	fluorescence	PROPN
admet-28	195	2	emission	emission	NOUN
admet-28	195	3	spectra	spectra	NOUN
admet-28	195	4	of	of	ADP
admet-28	195	5	:	:	PUNCT
admet-28	195	6	a	a	X
admet-28	195	7	)	)	PUNCT
admet-28	195	8	hsa	hsa	PROPN
admet-28	195	9	,	,	PUNCT
admet-28	195	10	b	b	NOUN
admet-28	195	11	)	)	PUNCT
admet-28	195	12	hsa	hsa	PROPN
admet-28	195	13	-	-	PUNCT
admet-28	195	14	ibuprofen	ibuprofen	NOUN
admet-28	195	15	complex	complex	NOUN
admet-28	195	16	,	,	PUNCT
admet-28	195	17	and	and	CCONJ
admet-28	195	18	c	c	X
admet-28	195	19	)	)	PUNCT
admet-28	195	20	hsa	hsa	NOUN
admet-28	195	21	-	-	PUNCT
admet-28	195	22	warfarin	warfarin	NOUN
admet-28	195	23	complex	complex	NOUN
admet-28	195	24	titrated	titrate	VERB
admet-28	195	25	with	with	ADP
admet-28	195	26	comp	comp	NOUN
admet-28	195	27	.	.	PUNCT
admet-28	196	1	2	2	NUM
admet-28	196	2	(	(	PUNCT
admet-28	196	3	1	1	NUM
admet-28	196	4	-	-	SYM
admet-28	196	5	20	20	NUM
admet-28	196	6	mol	mol	ADP
admet-28	196	7	equivalents	equivalent	NOUN
admet-28	196	8	)	)	PUNCT
admet-28	196	9	;	;	PUNCT
admet-28	196	10	concentration	concentration	NOUN
admet-28	196	11	of	of	ADP
admet-28	196	12	all	all	DET
admet-28	196	13	solutions	solution	NOUN
admet-28	196	14	was	be	AUX
admet-28	196	15	1	1	NUM
admet-28	196	16	10	10	NUM
admet-28	197	1	-6	-6	NOUN
admet-28	197	2	m	m	PRON
admet-28	197	3	;	;	PUNCT
admet-28	197	4	t	t	PROPN
admet-28	197	5	=	=	SYM
admet-28	197	6	37±1	37±1	PROPN
admet-28	197	7	c	c	VERB
admet-28	197	8	,	,	PUNCT
admet-28	197	9	ph=7.34	ph=7.34	NOUN
admet-28	197	10	(	(	PUNCT
admet-28	197	11	1	1	NUM
admet-28	197	12	pbs	pbs	PROPN
admet-28	197	13	)	)	PUNCT
admet-28	197	14	.	.	PUNCT
admet-28	198	1	cvijetić	cvijetić	PROPN
admet-28	198	2	et.al	et.al	PROPN
admet-28	198	3	.	.	PUNCT
admet-28	199	1	admet	admet	PROPN
admet-28	199	2	&	&	CCONJ
admet-28	199	3	dmpk	dmpk	PROPN
admet-28	199	4	2(2	2(2	NUM
admet-28	199	5	)	)	PUNCT
admet-28	199	6	(	(	PUNCT
admet-28	199	7	2014	2014	NUM
admet-28	199	8	)	)	PUNCT
admet-28	199	9	126	126	NUM
admet-28	199	10	-	-	SYM
admet-28	199	11	142	142	NUM
admet-28	199	12	134	134	NUM
admet-28	199	13	figure	figure	NOUN
admet-28	199	14	8	8	NUM
admet-28	199	15	.	.	PUNCT
admet-28	200	1	modified	modify	VERB
admet-28	200	2	stern	stern	ADJ
admet-28	200	3	-	-	PUNCT
admet-28	200	4	volmer	volmer	NOUN
admet-28	200	5	plot	plot	NOUN
admet-28	200	6	(	(	PUNCT
admet-28	200	7	equation	equation	NOUN
admet-28	200	8	3	3	NUM
admet-28	200	9	)	)	PUNCT
admet-28	200	10	for	for	ADP
admet-28	200	11	the	the	DET
admet-28	200	12	apparent	apparent	ADJ
admet-28	200	13	binding	bind	VERB
admet-28	200	14	constant	constant	ADJ
admet-28	200	15	(	(	PUNCT
admet-28	200	16	kb	kb	PROPN
admet-28	200	17	)	)	PUNCT
admet-28	200	18	and	and	CCONJ
admet-28	200	19	the	the	DET
admet-28	200	20	number	number	NOUN
admet-28	200	21	of	of	ADP
admet-28	200	22	binding	bind	VERB
admet-28	200	23	sites	site	NOUN
admet-28	200	24	(	(	PUNCT
admet-28	200	25	n	n	CCONJ
admet-28	200	26	)	)	PUNCT
admet-28	200	27	determination	determination	NOUN
admet-28	200	28	in	in	ADP
admet-28	200	29	hsa	hsa	PROPN
admet-28	200	30	-	-	PUNCT
admet-28	200	31	comp	comp	NOUN
admet-28	200	32	.	.	PUNCT
admet-28	201	1	2	2	NUM
admet-28	201	2	interaction	interaction	NOUN
admet-28	201	3	;	;	PUNCT
admet-28	201	4	static	static	ADJ
admet-28	201	5	quenching	quenching	NOUN
admet-28	201	6	mechanism	mechanism	NOUN
admet-28	201	7	was	be	AUX
admet-28	201	8	assumed	assume	VERB
admet-28	201	9	;	;	PUNCT
admet-28	202	1	t	t	X
admet-28	202	2	=	=	SYM
admet-28	202	3	37	37	NUM
admet-28	202	4	±	±	NUM
admet-28	202	5	1	1	NUM
admet-28	202	6	c	c	VERB
admet-28	202	7	.	.	PUNCT
admet-28	202	8	table	table	NOUN
admet-28	202	9	3	3	NUM
admet-28	202	10	.	.	PUNCT
admet-28	202	11	apparent	apparent	ADJ
admet-28	202	12	binding	binding	ADJ
admet-28	202	13	constants	constant	NOUN
admet-28	202	14	for	for	ADP
admet-28	202	15	comp	comp	NOUN
admet-28	202	16	.	.	PUNCT
admet-28	203	1	2	2	NUM
admet-28	203	2	/	/	SYM
admet-28	203	3	hsa	hsa	PROPN
admet-28	203	4	(	(	PUNCT
admet-28	203	5	blank	blank	NOUN
admet-28	203	6	)	)	PUNCT
admet-28	203	7	,	,	PUNCT
admet-28	203	8	comp	comp	NOUN
admet-28	203	9	.	.	PUNCT
admet-28	204	1	2	2	NUM
admet-28	204	2	/	/	SYM
admet-28	204	3	hsa	hsa	NOUN
admet-28	204	4	-	-	PUNCT
admet-28	204	5	warfarin	warfarin	NOUN
admet-28	204	6	,	,	PUNCT
admet-28	204	7	and	and	CCONJ
admet-28	204	8	comp	comp	NOUN
admet-28	204	9	.	.	PUNCT
admet-28	205	1	2	2	NUM
admet-28	205	2	/	/	SYM
admet-28	205	3	hsa	hsa	PROPN
admet-28	205	4	-	-	PUNCT
admet-28	205	5	ibuprofen	ibuprofen	NOUN
admet-28	205	6	interactions	interaction	NOUN
admet-28	205	7	;	;	PUNCT
admet-28	205	8	t	t	X
admet-28	205	9	=	=	SYM
admet-28	205	10	37±1	37±1	PROPN
admet-28	205	11	c	c	ADJ
admet-28	205	12	.	.	PUNCT
admet-28	206	1	logkb	logkb	PROPN
admet-28	206	2	±	±	PROPN
admet-28	206	3	sd	sd	ADP
admet-28	206	4	kb	kb	PROPN
admet-28	206	5	±	±	PROPN
admet-28	206	6	sd	sd	PROPN
admet-28	206	7	(	(	PUNCT
admet-28	206	8	m	m	NOUN
admet-28	206	9	)	)	PUNCT
admet-28	206	10	n	n	PRON
admet-28	206	11	±	±	NUM
admet-28	206	12	sd	sd	ADP
admet-28	206	13	r2	r2	PROPN
admet-28	206	14	blank	blank	VERB
admet-28	206	15	4.5	4.5	NUM
admet-28	206	16	±	±	NUM
admet-28	206	17	0.1	0.1	NUM
admet-28	206	18	0	0	NUM
admet-28	206	19	8	8	NUM
admet-28	206	20	4	4	NUM
admet-28	206	21	0	0	NUM
admet-28	206	22	73	73	NUM
admet-28	206	23	2	2	NUM
admet-28	206	24	10	10	NUM
admet-28	206	25	.	.	PUNCT
admet-28	207	1	..	..	PUNCT
admet-28	207	2			PUNCT
admet-28	207	3			PROPN
admet-28	207	4			VERB
admet-28	207	5	0.98	0.98	NUM
admet-28	207	6	±	±	NUM
admet-28	207	7	0.03	0.03	NUM
admet-28	207	8	0.995	0.995	NUM
admet-28	207	9	ibuprofen	ibuprofen	PROPN
admet-28	207	10	3.9	3.9	NUM
admet-28	207	11	±	±	NUM
admet-28	207	12	0.2	0.2	NUM
admet-28	207	13	0	0	NUM
admet-28	207	14	5	5	NUM
admet-28	207	15	4	4	NUM
admet-28	207	16	0	0	NUM
admet-28	207	17	30	30	NUM
admet-28	207	18	8	8	NUM
admet-28	207	19	10	10	NUM
admet-28	207	20	.	.	PUNCT
admet-28	207	21	..	..	PUNCT
admet-28	208	1			PROPN
admet-28	208	2			PROPN
admet-28	208	3			PROPN
admet-28	208	4	0.88	0.88	NUM
admet-28	208	5	±	±	NUM
admet-28	208	6	0.03	0.03	NUM
admet-28	208	7	0.993	0.993	NUM
admet-28	208	8	warfarin	warfarin	NOUN
admet-28	208	9	4.4	4.4	NUM
admet-28	208	10	±	±	NUM
admet-28	208	11	0.1	0.1	NUM
admet-28	208	12	0	0	NUM
admet-28	208	13	7	7	NUM
admet-28	208	14	2	2	NUM
admet-28	208	15	0	0	NUM
admet-28	208	16	52	52	NUM
admet-28	208	17	5	5	NUM
admet-28	208	18	10	10	NUM
admet-28	208	19	.	.	PUNCT
admet-28	208	20	..	..	PUNCT
admet-28	209	1			PUNCT
admet-28	209	2			PROPN
admet-28	209	3			PROPN
admet-28	209	4	0.99±	0.99±	NOUN
admet-28	209	5	0.03	0.03	NUM
admet-28	209	6	0.996	0.996	NUM
admet-28	209	7	as	as	SCONJ
admet-28	209	8	it	it	PRON
admet-28	209	9	can	can	AUX
admet-28	209	10	be	be	AUX
admet-28	209	11	seen	see	VERB
admet-28	209	12	from	from	ADP
admet-28	209	13	experimental	experimental	ADJ
admet-28	209	14	results	result	NOUN
admet-28	209	15	,	,	PUNCT
admet-28	209	16	comp	comp	NOUN
admet-28	209	17	.	.	PUNCT
admet-28	209	18	1	1	NUM
admet-28	209	19	binds	bind	VERB
admet-28	209	20	to	to	ADP
admet-28	209	21	warfarin	warfarin	NOUN
admet-28	209	22	binding	bind	VERB
admet-28	209	23	site	site	NOUN
admet-28	209	24	(	(	PUNCT
admet-28	209	25	sudlow	sudlow	PROPN
admet-28	209	26	site	site	NOUN
admet-28	209	27	i	i	PROPN
admet-28	209	28	)	)	PUNCT
admet-28	209	29	,	,	PUNCT
admet-28	209	30	while	while	SCONJ
admet-28	209	31	it	it	PRON
admet-28	209	32	seems	seem	VERB
admet-28	209	33	that	that	SCONJ
admet-28	209	34	preferable	preferable	ADJ
admet-28	209	35	site	site	NOUN
admet-28	209	36	for	for	ADP
admet-28	209	37	comp	comp	NOUN
admet-28	209	38	.	.	PUNCT
admet-28	210	1	2	2	NUM
admet-28	210	2	binding	bind	VERB
admet-28	210	3	is	be	AUX
admet-28	210	4	ibuprofen	ibuprofen	NOUN
admet-28	210	5	binding	bind	VERB
admet-28	210	6	site	site	NOUN
admet-28	210	7	(	(	PUNCT
admet-28	210	8	sudlow	sudlow	PROPN
admet-28	210	9	site	site	PROPN
admet-28	210	10	ii	ii	PROPN
admet-28	210	11	)	)	PUNCT
admet-28	210	12	.	.	PUNCT
admet-28	211	1	molecular	molecular	ADJ
admet-28	211	2	modeling	modeling	NOUN
admet-28	211	3	studies	study	NOUN
admet-28	211	4	are	be	AUX
admet-28	211	5	in	in	ADP
admet-28	211	6	agreement	agreement	NOUN
admet-28	211	7	with	with	ADP
admet-28	211	8	experimental	experimental	ADJ
admet-28	211	9	results	result	NOUN
admet-28	211	10	.	.	PUNCT
admet-28	212	1	fluorescence	fluorescence	NOUN
admet-28	212	2	data	datum	NOUN
admet-28	212	3	are	be	AUX
admet-28	212	4	often	often	ADV
admet-28	212	5	used	use	VERB
admet-28	212	6	to	to	PART
admet-28	212	7	evaluate	evaluate	VERB
admet-28	212	8	the	the	DET
admet-28	212	9	enthalpy	enthalpy	NOUN
admet-28	212	10	and	and	CCONJ
admet-28	212	11	entropy	entropy	NOUN
admet-28	212	12	of	of	ADP
admet-28	212	13	complex	complex	ADJ
admet-28	212	14	formation	formation	NOUN
admet-28	212	15	.	.	PUNCT
admet-28	213	1	in	in	ADP
admet-28	213	2	order	order	NOUN
admet-28	213	3	to	to	PART
admet-28	213	4	study	study	VERB
admet-28	213	5	the	the	DET
admet-28	213	6	thermodynamics	thermodynamic	NOUN
admet-28	213	7	of	of	ADP
admet-28	213	8	comp	comp	NOUN
admet-28	213	9	.	.	PUNCT
admet-28	214	1	1	1	NUM
admet-28	215	1	to	to	ADP
admet-28	215	2	hsa	hsa	X
admet-28	215	3	binding	bind	VERB
admet-28	215	4	,	,	PUNCT
admet-28	215	5	fluorescence	fluorescence	PROPN
admet-28	215	6	titration	titration	NOUN
admet-28	215	7	spectra	spectra	NOUN
admet-28	215	8	were	be	AUX
admet-28	215	9	recorded	record	VERB
admet-28	215	10	and	and	CCONJ
admet-28	215	11	binding	bind	VERB
admet-28	215	12	constant	constant	ADJ
admet-28	215	13	determined	determine	VERB
admet-28	215	14	at	at	ADP
admet-28	215	15	several	several	ADJ
admet-28	215	16	temperatures	temperature	NOUN
admet-28	215	17	according	accord	VERB
admet-28	215	18	to	to	ADP
admet-28	215	19	modified	modify	VERB
admet-28	215	20	stern	stern	ADJ
admet-28	215	21	-	-	PUNCT
admet-28	215	22	volmer	volmer	NOUN
admet-28	215	23	equation	equation	NOUN
admet-28	215	24	(	(	PUNCT
admet-28	215	25	3	3	NUM
admet-28	215	26	)	)	PUNCT
admet-28	215	27	,	,	PUNCT
admet-28	215	28	(	(	PUNCT
admet-28	215	29	an	an	DET
admet-28	215	30	example	example	NOUN
admet-28	215	31	of	of	ADP
admet-28	215	32	linear	linear	PROPN
admet-28	215	33	fitting	fitting	ADJ
admet-28	215	34	is	be	AUX
admet-28	215	35	shown	show	VERB
admet-28	215	36	on	on	ADP
admet-28	215	37	figure	figure	NOUN
admet-28	215	38	6	6	NUM
admet-28	215	39	)	)	PUNCT
admet-28	215	40	.	.	PUNCT
admet-28	216	1	results	result	NOUN
admet-28	216	2	are	be	AUX
admet-28	216	3	shown	show	VERB
admet-28	216	4	in	in	ADP
admet-28	216	5	table	table	NOUN
admet-28	216	6	4	4	NUM
admet-28	216	7	.	.	PUNCT
admet-28	216	8	table	table	NOUN
admet-28	216	9	4	4	NUM
admet-28	216	10	.	.	PUNCT
admet-28	217	1	binding	bind	VERB
admet-28	217	2	constant	constant	ADJ
admet-28	217	3	for	for	ADP
admet-28	217	4	comp	comp	NOUN
admet-28	217	5	.	.	PUNCT
admet-28	218	1	1	1	NUM
admet-28	218	2	/	/	SYM
admet-28	218	3	hsa	hsa	PROPN
admet-28	218	4	interaction	interaction	NOUN
admet-28	218	5	measured	measure	VERB
admet-28	218	6	at	at	ADP
admet-28	218	7	different	different	ADJ
admet-28	218	8	temperatures	temperature	NOUN
admet-28	218	9	;	;	PUNCT
admet-28	218	10	log	log	NOUN
admet-28	218	11	kb	kb	PROPN
admet-28	218	12	values	value	NOUN
admet-28	218	13	given	give	VERB
admet-28	218	14	as	as	ADP
admet-28	218	15	mean	mean	ADJ
admet-28	218	16	values	value	NOUN
admet-28	218	17	of	of	ADP
admet-28	218	18	three	three	NUM
admet-28	218	19	times	time	NOUN
admet-28	218	20	performed	perform	VERB
admet-28	218	21	measurements	measurement	NOUN
admet-28	218	22	.	.	PUNCT
admet-28	219	1	t	t	PROPN
admet-28	219	2	(	(	PUNCT
admet-28	219	3	k	k	X
admet-28	219	4	)	)	PUNCT
admet-28	219	5	logkb	logkb	PROPN
admet-28	219	6	±	±	PROPN
admet-28	219	7	sd	sd	ADP
admet-28	219	8	kb	kb	PROPN
admet-28	219	9	±	±	PROPN
admet-28	219	10	sd	sd	PROPN
admet-28	219	11	(	(	PUNCT
admet-28	219	12	m	m	NOUN
admet-28	219	13	)	)	PUNCT
admet-28	219	14	283	283	NUM
admet-28	219	15	4.3	4.3	NUM
admet-28	219	16	±	±	NUM
admet-28	219	17	0.3	0.3	NUM
admet-28	219	18	2	2	NUM
admet-28	219	19	0	0	NUM
admet-28	219	20	4	4	NUM
admet-28	219	21	1	1	NUM
admet-28	219	22	02	02	NUM
admet-28	219	23	0	0	NUM
admet-28	219	24	10	10	NUM
admet-28	219	25	.	.	PUNCT
admet-28	219	26	..	..	PUNCT
admet-28	220	1			PUNCT
admet-28	220	2			PROPN
admet-28	220	3			VERB
admet-28	220	4	293	293	NUM
admet-28	220	5	5.5	5.5	NUM
admet-28	220	6	±	±	NUM
admet-28	220	7	0.2	0.2	NUM
admet-28	220	8	1	1	NUM
admet-28	220	9	8	8	NUM
admet-28	220	10	5	5	NUM
admet-28	220	11	1	1	NUM
admet-28	220	12	23	23	NUM
admet-28	220	13	2	2	NUM
admet-28	220	14	10	10	NUM
admet-28	220	15	.	.	PUNCT
admet-28	220	16	..	..	PUNCT
admet-28	221	1			PUNCT
admet-28	221	2			PROPN
admet-28	221	3			VERB
admet-28	221	4	298	298	NUM
admet-28	221	5	4.9	4.9	NUM
admet-28	221	6	±	±	NUM
admet-28	221	7	0.3	0.3	NUM
admet-28	221	8	7	7	NUM
admet-28	221	9	9	9	NUM
admet-28	221	10	4	4	NUM
admet-28	221	11	3	3	NUM
admet-28	221	12	97	97	NUM
admet-28	221	13	9	9	NUM
admet-28	221	14	10	10	NUM
admet-28	221	15	.	.	PUNCT
admet-28	221	16	..	..	PUNCT
admet-28	222	1			PUNCT
admet-28	222	2			PROPN
admet-28	222	3			VERB
admet-28	222	4	303	303	NUM
admet-28	222	5	4.6	4.6	NUM
admet-28	222	6	±	±	NUM
admet-28	222	7	0.2	0.2	NUM
admet-28	222	8	2	2	NUM
admet-28	222	9	3	3	NUM
admet-28	222	10	4	4	NUM
admet-28	222	11	1	1	NUM
admet-28	222	12	54	54	NUM
admet-28	222	13	0	0	NUM
admet-28	222	14	10	10	NUM
admet-28	222	15	.	.	PUNCT
admet-28	222	16	..	..	PUNCT
admet-28	223	1			PROPN
admet-28	223	2			PROPN
admet-28	223	3			VERB
admet-28	223	4	310	310	NUM
admet-28	223	5	4.45	4.45	NUM
admet-28	223	6	±	±	NUM
admet-28	223	7	0.07	0.07	NUM
admet-28	223	8	0	0	NUM
admet-28	223	9	8	8	NUM
admet-28	223	10	4	4	NUM
admet-28	223	11	0	0	NUM
admet-28	223	12	73	73	NUM
admet-28	223	13	2	2	NUM
admet-28	223	14	10	10	NUM
admet-28	223	15	.	.	PUNCT
admet-28	223	16	..	..	PUNCT
admet-28	224	1			PROPN
admet-28	224	2			PROPN
admet-28	224	3			PROPN
admet-28	224	4	315	315	NUM
admet-28	224	5	4.2	4.2	NUM
admet-28	224	6	±	±	NUM
admet-28	224	7	0.3	0.3	NUM
admet-28	224	8	1	1	NUM
admet-28	224	9	6	6	NUM
admet-28	224	10	4	4	NUM
admet-28	224	11	0	0	NUM
admet-28	224	12	81	81	NUM
admet-28	224	13	6	6	NUM
admet-28	224	14	10	10	NUM
admet-28	224	15	.	.	PUNCT
admet-28	224	16	..	..	PUNCT
admet-28	225	1			PUNCT
admet-28	225	2			NOUN
admet-28	225	3			NOUN
admet-28	225	4	as	as	SCONJ
admet-28	225	5	it	it	PRON
admet-28	225	6	can	can	AUX
admet-28	225	7	be	be	AUX
admet-28	225	8	seen	see	VERB
admet-28	225	9	from	from	ADP
admet-28	225	10	table	table	NOUN
admet-28	225	11	4	4	NUM
admet-28	225	12	,	,	PUNCT
admet-28	225	13	determined	determine	VERB
admet-28	225	14	binding	bind	VERB
admet-28	225	15	constant	constant	ADJ
admet-28	225	16	(	(	PUNCT
admet-28	225	17	kb	kb	PROPN
admet-28	225	18	)	)	PUNCT
admet-28	225	19	values	value	NOUN
admet-28	225	20	have	have	VERB
admet-28	225	21	high	high	ADJ
admet-28	225	22	error	error	NOUN
admet-28	225	23	values	value	NOUN
admet-28	225	24	,	,	PUNCT
admet-28	225	25	thus	thus	ADV
admet-28	225	26	data	datum	NOUN
admet-28	225	27	fit	fit	ADJ
admet-28	225	28	to	to	ADP
admet-28	225	29	either	either	CCONJ
admet-28	225	30	linear	linear	PROPN
admet-28	225	31	van΄t	van΄t	X
admet-28	225	32	hoff	hoff	NOUN
admet-28	225	33	equation	equation	NOUN
admet-28	225	34	(	(	PUNCT
admet-28	225	35	4	4	NUM
admet-28	225	36	):	):	PUNCT
admet-28	225	37	admet	admet	PROPN
admet-28	225	38	&	&	CCONJ
admet-28	225	39	dmpk	dmpk	PROPN
admet-28	225	40	2(2	2(2	NUM
admet-28	225	41	)	)	PUNCT
admet-28	225	42	(	(	PUNCT
admet-28	225	43	2014	2014	NUM
admet-28	225	44	)	)	PUNCT
admet-28	225	45	126	126	NUM
admet-28	225	46	-	-	SYM
admet-28	225	47	142	142	NUM
admet-28	225	48	hsa	hsa	PROPN
admet-28	225	49	binding	bind	VERB
admet-28	225	50	doi	doi	NOUN
admet-28	225	51	:	:	PUNCT
admet-28	225	52	10.5599	10.5599	NUM
admet-28	225	53	/	/	SYM
admet-28	225	54	admet.2.2.28	admet.2.2.28	NOUN
admet-28	225	55	135	135	NUM
admet-28	225	56			PROPN
admet-28	225	57			PROPN
admet-28	225	58			ADJ
admet-28	225	59	0	0	NUM
admet-28	226	1	0	0	SYM
admet-28	226	2	b	b	X
admet-28	226	3	δ	δ	PROPN
admet-28	226	4	δ	δ	PROPN
admet-28	226	5	ln	ln	ADJ
admet-28	226	6	h	h	PROPN
admet-28	226	7	s	s	PART
admet-28	227	1	k	k	PROPN
admet-28	227	2	rt	rt	PROPN
admet-28	227	3	r	r	NOUN
admet-28	227	4	(	(	PUNCT
admet-28	227	5	4	4	NUM
admet-28	227	6	)	)	PUNCT
admet-28	227	7	or	or	CCONJ
admet-28	227	8	a	a	DET
admet-28	227	9	non	non	ADJ
admet-28	227	10	-	-	ADJ
admet-28	227	11	linear	linear	ADJ
admet-28	227	12	one	one	NUM
admet-28	227	13	(	(	PUNCT
admet-28	227	14	5	5	NUM
admet-28	227	15	):	):	PUNCT
admet-28	227	16			PROPN
admet-28	227	17			NOUN
admet-28	227	18			PROPN
admet-28	227	19			PROPN
admet-28	227	20			PROPN
admet-28	227	21			PROPN
admet-28	227	22			CCONJ
admet-28	227	23			PROPN
admet-28	227	24			NOUN
admet-28	227	25	0	0	NUM
admet-28	227	26	1	1	NUM
admet-28	227	27	1	1	NUM
admet-28	227	28	p	p	NOUN
admet-28	227	29	pd1	pd1	VERB
admet-28	227	30	2	2	NUM
admet-28	227	31	d2	d2	NOUN
admet-28	227	32	1	1	NUM
admet-28	227	33	2	2	NUM
admet-28	227	34	1	1	NUM
admet-28	227	35	δ	δ	PROPN
admet-28	227	36	δ	δ	NOUN
admet-28	227	37	δln	δln	VERB
admet-28	227	38	1	1	NUM
admet-28	227	39	1	1	NUM
admet-28	227	40	ln	ln	NOUN
admet-28	227	41	ln	ln	ADJ
admet-28	227	42	h	h	NOUN
admet-28	228	1	t	t	NOUN
admet-28	228	2	c	c	NOUN
admet-28	229	1	ck	ck	INTJ
admet-28	229	2	t	t	PROPN
admet-28	229	3	k	k	NOUN
admet-28	229	4	r	r	NOUN
admet-28	229	5	t	t	PROPN
admet-28	229	6	t	t	NOUN
admet-28	229	7	r	r	NOUN
admet-28	229	8	t	t	PROPN
admet-28	229	9	(	(	PUNCT
admet-28	229	10	5	5	NUM
admet-28	229	11	)	)	PUNCT
admet-28	229	12	where	where	SCONJ
admet-28	229	13	kd	kd	PROPN
admet-28	229	14	stands	stand	VERB
admet-28	229	15	for	for	ADP
admet-28	229	16	dissociation	dissociation	NOUN
admet-28	229	17	constants	constant	NOUN
admet-28	229	18	(	(	PUNCT
admet-28	229	19	reciprocal	reciprocal	ADJ
admet-28	229	20	to	to	ADP
admet-28	229	21	kb	kb	PROPN
admet-28	229	22	values	value	NOUN
admet-28	229	23	)	)	PUNCT
admet-28	229	24	,	,	PUNCT
admet-28	229	25	produced	produce	VERB
admet-28	229	26	unreliable	unreliable	ADJ
admet-28	229	27	results	result	NOUN
admet-28	229	28	.	.	PUNCT
admet-28	230	1	as	as	SCONJ
admet-28	230	2	one	one	NUM
admet-28	230	3	of	of	ADP
admet-28	230	4	the	the	DET
admet-28	230	5	best	good	ADJ
admet-28	230	6	methods	method	NOUN
admet-28	230	7	to	to	PART
admet-28	230	8	study	study	VERB
admet-28	230	9	thermodynamics	thermodynamic	NOUN
admet-28	230	10	of	of	ADP
admet-28	230	11	binding	bind	VERB
admet-28	230	12	is	be	AUX
admet-28	230	13	isothermal	isothermal	ADJ
admet-28	230	14	titration	titration	NOUN
admet-28	230	15	calorimetry	calorimetry	NOUN
admet-28	230	16	(	(	PUNCT
admet-28	230	17	itc	itc	PROPN
admet-28	230	18	)	)	PUNCT
admet-28	231	1	[	[	X
admet-28	231	2	12	12	NUM
admet-28	231	3	]	]	PUNCT
admet-28	231	4	,	,	PUNCT
admet-28	231	5	we	we	PRON
admet-28	231	6	plan	plan	VERB
admet-28	231	7	to	to	PART
admet-28	231	8	use	use	VERB
admet-28	231	9	this	this	DET
admet-28	231	10	method	method	NOUN
admet-28	231	11	in	in	ADP
admet-28	231	12	future	future	ADJ
admet-28	231	13	experiments	experiment	NOUN
admet-28	231	14	.	.	PUNCT
admet-28	232	1	3.3	3.3	NUM
admet-28	232	2	.	.	PUNCT
admet-28	233	1	molecular	molecular	ADJ
admet-28	233	2	modeling	modeling	NOUN
admet-28	233	3	interaction	interaction	NOUN
admet-28	233	4	of	of	ADP
admet-28	233	5	comp	comp	NOUN
admet-28	233	6	.	.	PUNCT
admet-28	234	1	1	1	NUM
admet-28	234	2	with	with	ADP
admet-28	234	3	hsa	hsa	PROPN
admet-28	234	4	was	be	AUX
admet-28	234	5	examined	examine	VERB
admet-28	234	6	by	by	ADP
admet-28	234	7	molecular	molecular	ADJ
admet-28	234	8	docking	docking	NOUN
admet-28	234	9	and	and	CCONJ
admet-28	234	10	md	md	PROPN
admet-28	234	11	.	.	PROPN
admet-28	235	1	for	for	ADP
admet-28	235	2	docking	docking	NOUN
admet-28	235	3	and	and	CCONJ
admet-28	235	4	md	md	PROPN
admet-28	235	5	simulations	simulation	NOUN
admet-28	235	6	both	both	CCONJ
admet-28	235	7	carboxylic	carboxylic	ADJ
admet-28	235	8	groups	group	NOUN
admet-28	235	9	of	of	ADP
admet-28	235	10	1	1	NUM
admet-28	235	11	were	be	AUX
admet-28	235	12	deprotonated	deprotonate	VERB
admet-28	235	13	to	to	PART
admet-28	235	14	mimic	mimic	VERB
admet-28	235	15	the	the	DET
admet-28	235	16	ionization	ionization	NOUN
admet-28	235	17	state	state	NOUN
admet-28	235	18	of	of	ADP
admet-28	235	19	the	the	DET
admet-28	235	20	molecule	molecule	NOUN
admet-28	235	21	comparable	comparable	ADJ
admet-28	235	22	with	with	ADP
admet-28	235	23	its	its	PRON
admet-28	235	24	ionization	ionization	NOUN
admet-28	235	25	under	under	ADP
admet-28	235	26	assay	assay	ADJ
admet-28	235	27	conditions	condition	NOUN
admet-28	235	28	.	.	PUNCT
admet-28	236	1	for	for	ADP
admet-28	236	2	docking	docking	NOUN
admet-28	236	3	,	,	PUNCT
admet-28	236	4	the	the	DET
admet-28	236	5	whole	whole	ADJ
admet-28	236	6	structure	structure	NOUN
admet-28	236	7	of	of	ADP
admet-28	236	8	hsa	hsa	PROPN
admet-28	236	9	cocrystallized	cocrystallize	VERB
admet-28	236	10	with	with	ADP
admet-28	236	11	myristic	myristic	ADJ
admet-28	236	12	acid	acid	NOUN
admet-28	236	13	was	be	AUX
admet-28	236	14	used	use	VERB
admet-28	236	15	.	.	PUNCT
admet-28	237	1	protonation	protonation	NOUN
admet-28	237	2	states	state	NOUN
admet-28	237	3	of	of	ADP
admet-28	237	4	ionizable	ionizable	ADJ
admet-28	237	5	residues	residue	NOUN
admet-28	237	6	were	be	AUX
admet-28	237	7	ascribed	ascribe	VERB
admet-28	237	8	by	by	ADP
admet-28	237	9	empirical	empirical	ADJ
admet-28	237	10	function	function	NOUN
admet-28	237	11	[	[	X
admet-28	237	12	38	38	NUM
admet-28	237	13	]	]	PUNCT
admet-28	237	14	,	,	PUNCT
admet-28	237	15	and	and	CCONJ
admet-28	237	16	h	h	NOUN
admet-28	237	17	atoms	atom	NOUN
admet-28	237	18	were	be	AUX
admet-28	237	19	added	add	VERB
admet-28	237	20	.	.	PUNCT
admet-28	238	1	the	the	DET
admet-28	238	2	protein	protein	NOUN
admet-28	238	3	was	be	AUX
admet-28	238	4	neutralized	neutralize	VERB
admet-28	238	5	with	with	ADP
admet-28	238	6	na+	na+	ADJ
admet-28	238	7	counter	counter	NOUN
admet-28	238	8	-	-	NOUN
admet-28	238	9	ions	ion	NOUN
admet-28	238	10	,	,	PUNCT
admet-28	238	11	and	and	CCONJ
admet-28	238	12	then	then	ADV
admet-28	238	13	embedded	embed	VERB
admet-28	238	14	in	in	ADP
admet-28	238	15	sphere	sphere	NOUN
admet-28	238	16	of	of	ADP
admet-28	238	17	explicit	explicit	ADJ
admet-28	238	18	water	water	NOUN
admet-28	238	19	molecules	molecule	NOUN
admet-28	238	20	.	.	PUNCT
admet-28	239	1	system	system	NOUN
admet-28	239	2	was	be	AUX
admet-28	239	3	minimized	minimize	VERB
admet-28	239	4	without	without	ADP
admet-28	239	5	any	any	DET
admet-28	239	6	constraint	constraint	NOUN
admet-28	239	7	in	in	ADP
admet-28	239	8	namd	namd	NOUN
admet-28	239	9	2.9	2.9	NUM
admet-28	239	10	.	.	PUNCT
admet-28	240	1	in	in	ADP
admet-28	240	2	this	this	DET
admet-28	240	3	way	way	NOUN
admet-28	240	4	obtained	obtain	VERB
admet-28	240	5	hsa	hsa	PROPN
admet-28	240	6	structure	structure	NOUN
admet-28	240	7	was	be	AUX
admet-28	240	8	used	use	VERB
admet-28	240	9	for	for	ADP
admet-28	240	10	docking	docking	NOUN
admet-28	240	11	.	.	PUNCT
admet-28	241	1	two	two	NUM
admet-28	241	2	out	out	ADP
admet-28	241	3	of	of	ADP
admet-28	241	4	three	three	NUM
admet-28	241	5	best	good	ADJ
admet-28	241	6	docking	docking	NOUN
admet-28	241	7	solutions	solution	NOUN
admet-28	241	8	found	find	VERB
admet-28	241	9	1	1	NUM
admet-28	241	10	in	in	ADP
admet-28	241	11	warfarin	warfarin	NOUN
admet-28	241	12	binding	bind	VERB
admet-28	241	13	site	site	NOUN
admet-28	241	14	(	(	PUNCT
admet-28	241	15	sudlow	sudlow	PROPN
admet-28	241	16	site	site	NOUN
admet-28	241	17	i	i	PROPN
admet-28	241	18	,	,	PUNCT
admet-28	241	19	figure	figure	NOUN
admet-28	241	20	9a	9a	NOUN
admet-28	241	21	)	)	PUNCT
admet-28	241	22	;	;	PUNCT
admet-28	241	23	this	this	PRON
admet-28	241	24	is	be	AUX
admet-28	241	25	in	in	ADP
admet-28	241	26	agreement	agreement	NOUN
admet-28	241	27	with	with	ADP
admet-28	241	28	experimental	experimental	ADJ
admet-28	241	29	results	result	NOUN
admet-28	241	30	.	.	PUNCT
admet-28	242	1	as	as	SCONJ
admet-28	242	2	it	it	PRON
admet-28	242	3	can	can	AUX
admet-28	242	4	be	be	AUX
admet-28	242	5	seen	see	VERB
admet-28	242	6	on	on	ADP
admet-28	242	7	figure	figure	NOUN
admet-28	242	8	9a	9a	NOUN
admet-28	242	9	,	,	PUNCT
admet-28	242	10	carboxylates	carboxylate	NOUN
admet-28	242	11	of	of	ADP
admet-28	242	12	the	the	DET
admet-28	242	13	studied	study	VERB
admet-28	242	14	compound	compound	NOUN
admet-28	242	15	make	make	VERB
admet-28	242	16	salt	salt	NOUN
admet-28	242	17	bridges	bridge	NOUN
admet-28	242	18	with	with	ADP
admet-28	242	19	lys195	lys195	PROPN
admet-28	242	20	,	,	PUNCT
admet-28	242	21	lys199	lys199	PROPN
admet-28	242	22	,	,	PUNCT
admet-28	242	23	arg218	arg218	NOUN
admet-28	242	24	,	,	PUNCT
admet-28	242	25	and	and	CCONJ
admet-28	242	26	arg257	arg257	NOUN
admet-28	242	27	;	;	PUNCT
admet-28	242	28	the	the	DET
admet-28	242	29	tert	tert	NOUN
admet-28	242	30	-	-	PUNCT
admet-28	242	31	bu	bu	NOUN
admet-28	242	32	group	group	NOUN
admet-28	242	33	makes	make	VERB
admet-28	242	34	hydrophobic	hydrophobic	NOUN
admet-28	242	35	interactions	interaction	NOUN
admet-28	242	36	with	with	ADP
admet-28	242	37	leu219	leu219	PROPN
admet-28	242	38	,	,	PUNCT
admet-28	242	39	leu238	leu238	PROPN
admet-28	242	40	,	,	PUNCT
admet-28	242	41	and	and	CCONJ
admet-28	242	42	ile264	ile264	NOUN
admet-28	242	43	,	,	PUNCT
admet-28	242	44	but	but	CCONJ
admet-28	242	45	interactions	interaction	NOUN
admet-28	242	46	of	of	ADP
admet-28	242	47	the	the	DET
admet-28	242	48	phenyl	phenyl	NOUN
admet-28	242	49	ring	ring	NOUN
admet-28	242	50	,	,	PUNCT
admet-28	242	51	or	or	CCONJ
admet-28	242	52	the	the	DET
admet-28	242	53	aroyl	aroyl	ADJ
admet-28	242	54	carbonyl	carbonyl	NOUN
admet-28	242	55	group	group	NOUN
admet-28	242	56	,	,	PUNCT
admet-28	242	57	with	with	ADP
admet-28	242	58	hsa	hsa	PROPN
admet-28	242	59	residues	residue	NOUN
admet-28	242	60	were	be	AUX
admet-28	242	61	not	not	PART
admet-28	242	62	observed	observe	VERB
admet-28	242	63	.	.	PUNCT
admet-28	243	1	the	the	DET
admet-28	243	2	first	first	ADJ
admet-28	243	3	three	three	NUM
admet-28	243	4	docking	docking	NOUN
admet-28	243	5	poses	pose	NOUN
admet-28	243	6	found	find	VERB
admet-28	243	7	comp	comp	NOUN
admet-28	243	8	.	.	PUNCT
admet-28	243	9	2	2	NUM
admet-28	243	10	in	in	ADP
admet-28	243	11	sudlow	sudlow	ADJ
admet-28	243	12	site	site	NOUN
admet-28	243	13	2	2	NUM
admet-28	243	14	(	(	PUNCT
admet-28	243	15	figure	figure	NOUN
admet-28	243	16	9b	9b	NUM
admet-28	243	17	)	)	PUNCT
admet-28	243	18	.	.	PUNCT
admet-28	244	1	carboxylate	carboxylate	NOUN
admet-28	244	2	moiety	moiety	PROPN
admet-28	244	3	makes	make	VERB
admet-28	244	4	polar	polar	ADJ
admet-28	244	5	contacts	contact	NOUN
admet-28	244	6	with	with	ADP
admet-28	244	7	arg410	arg410	NOUN
admet-28	244	8	and	and	CCONJ
admet-28	244	9	tyr411	tyr411	PROPN
admet-28	244	10	,	,	PUNCT
admet-28	244	11	while	while	SCONJ
admet-28	244	12	ester	ester	NOUN
admet-28	244	13	carbonyl	carbonyl	NOUN
admet-28	244	14	forms	form	VERB
admet-28	244	15	h	h	NOUN
admet-28	244	16	-	-	PUNCT
admet-28	244	17	bond	bond	NOUN
admet-28	244	18	with	with	ADP
admet-28	244	19	the	the	DET
admet-28	244	20	backbone	backbone	NOUN
admet-28	244	21	nh	nh	PROPN
admet-28	244	22	of	of	ADP
admet-28	244	23	the	the	DET
admet-28	244	24	cys392	cys392	PROPN
admet-28	244	25	.	.	PUNCT
admet-28	245	1	the	the	DET
admet-28	245	2	me	me	PROPN
admet-28	245	3	-	-	PUNCT
admet-28	245	4	group	group	NOUN
admet-28	245	5	of	of	ADP
admet-28	245	6	the	the	DET
admet-28	245	7	coome	coome	NOUN
admet-28	245	8	moiety	moiety	NOUN
admet-28	245	9	makes	make	VERB
admet-28	245	10	hydrophobic	hydrophobic	ADJ
admet-28	245	11	contacts	contact	NOUN
admet-28	245	12	with	with	ADP
admet-28	245	13	ala449	ala449	PROPN
admet-28	245	14	.	.	PUNCT
admet-28	246	1	the	the	DET
admet-28	246	2	nonpolar	nonpolar	ADJ
admet-28	246	3	part	part	NOUN
admet-28	246	4	of	of	ADP
admet-28	246	5	the	the	DET
admet-28	246	6	ligand	ligand	NOUN
admet-28	246	7	is	be	AUX
admet-28	246	8	involved	involve	VERB
admet-28	246	9	in	in	ADP
admet-28	246	10	hydrophobic	hydrophobic	NOUN
admet-28	246	11	contacts	contact	NOUN
admet-28	246	12	with	with	ADP
admet-28	246	13	val344	val344	NOUN
admet-28	246	14	,	,	PUNCT
admet-28	246	15	leu453	leu453	NOUN
admet-28	246	16	and	and	CCONJ
admet-28	246	17	ala449	ala449	PROPN
admet-28	246	18	.	.	PROPN
admet-28	247	1	a	a	DET
admet-28	247	2	)	)	PUNCT
admet-28	247	3	b	b	NOUN
admet-28	247	4	)	)	PUNCT
admet-28	247	5	figure	figure	NOUN
admet-28	247	6	9	9	NUM
admet-28	247	7	.	.	PUNCT
admet-28	248	1	a	a	DET
admet-28	248	2	)	)	PUNCT
admet-28	248	3	comp	comp	NOUN
admet-28	248	4	.	.	PUNCT
admet-28	249	1	1	1	NUM
admet-28	249	2	docked	dock	VERB
admet-28	249	3	to	to	ADP
admet-28	249	4	hsa	hsa	PROPN
admet-28	249	5	.	.	PUNCT
admet-28	250	1	the	the	DET
admet-28	250	2	system	system	NOUN
admet-28	250	3	is	be	AUX
admet-28	250	4	depicted	depict	VERB
admet-28	250	5	after	after	ADP
admet-28	250	6	energy	energy	NOUN
admet-28	250	7	minimization	minimization	NOUN
admet-28	250	8	of	of	ADP
admet-28	250	9	the	the	DET
admet-28	250	10	neutralized	neutralize	VERB
admet-28	250	11	and	and	CCONJ
admet-28	250	12	solvated	solvated	ADJ
admet-28	250	13	system	system	NOUN
admet-28	250	14	.	.	PUNCT
admet-28	251	1	compound	compound	NOUN
admet-28	251	2	is	be	AUX
admet-28	251	3	bound	bind	VERB
admet-28	251	4	to	to	PART
admet-28	251	5	sudlow	sudlow	VERB
admet-28	251	6	site	site	NOUN
admet-28	251	7	i.	i.	PROPN
admet-28	251	8	salt	salt	PROPN
admet-28	251	9	bridges	bridge	NOUN
admet-28	251	10	between	between	ADP
admet-28	251	11	–	–	PUNCT
admet-28	251	12	coo	coo	INTJ
admet-28	251	13	–	–	PUNCT
admet-28	251	14	groups	group	NOUN
admet-28	251	15	of	of	ADP
admet-28	251	16	the	the	DET
admet-28	251	17	studied	study	VERB
admet-28	251	18	compound	compound	NOUN
admet-28	251	19	and	and	CCONJ
admet-28	251	20	residues	residue	VERB
admet-28	251	21	lys195	lys195	PROPN
admet-28	251	22	,	,	PUNCT
admet-28	251	23	lys199	lys199	PROPN
admet-28	251	24	,	,	PUNCT
admet-28	251	25	arg218	arg218	NOUN
admet-28	251	26	,	,	PUNCT
admet-28	251	27	and	and	CCONJ
admet-28	251	28	arg257	arg257	PROPN
admet-28	251	29	,	,	PUNCT
admet-28	251	30	observed	observe	VERB
admet-28	251	31	during	during	ADP
admet-28	251	32	md	md	PROPN
admet-28	251	33	simulations	simulation	NOUN
admet-28	251	34	,	,	PUNCT
admet-28	251	35	are	be	AUX
admet-28	251	36	marked	mark	VERB
admet-28	251	37	by	by	ADP
admet-28	251	38	two	two	NUM
admet-28	251	39	-	-	PUNCT
admet-28	251	40	headed	head	VERB
admet-28	251	41	arrows	arrow	NOUN
admet-28	251	42	.	.	PUNCT
admet-28	252	1	b	b	X
admet-28	252	2	)	)	PUNCT
admet-28	252	3	comp	comp	NOUN
admet-28	252	4	.	.	PUNCT
admet-28	253	1	2	2	NUM
admet-28	253	2	docked	dock	VERB
admet-28	253	3	to	to	ADP
admet-28	253	4	hsa	hsa	PROPN
admet-28	253	5	.	.	PUNCT
admet-28	254	1	the	the	DET
admet-28	254	2	system	system	NOUN
admet-28	254	3	is	be	AUX
admet-28	254	4	depicted	depict	VERB
admet-28	254	5	as	as	SCONJ
admet-28	254	6	obtained	obtain	VERB
admet-28	254	7	from	from	ADP
admet-28	254	8	the	the	DET
admet-28	254	9	best	well	ADV
admet-28	254	10	-	-	PUNCT
admet-28	254	11	ranked	rank	VERB
admet-28	254	12	docking	docking	NOUN
admet-28	254	13	solution	solution	NOUN
admet-28	254	14	.	.	PUNCT
admet-28	255	1	polar	polar	ADJ
admet-28	255	2	contacts	contact	NOUN
admet-28	255	3	are	be	AUX
admet-28	255	4	marked	mark	VERB
admet-28	255	5	by	by	ADP
admet-28	255	6	two	two	NUM
admet-28	255	7	-	-	PUNCT
admet-28	255	8	headed	head	VERB
admet-28	255	9	arrows	arrow	NOUN
admet-28	255	10	.	.	PUNCT
admet-28	256	1	cvijetić	cvijetić	PROPN
admet-28	256	2	et.al	et.al	PROPN
admet-28	256	3	.	.	PUNCT
admet-28	257	1	admet	admet	PROPN
admet-28	257	2	&	&	CCONJ
admet-28	257	3	dmpk	dmpk	PROPN
admet-28	257	4	2(2	2(2	NUM
admet-28	257	5	)	)	PUNCT
admet-28	257	6	(	(	PUNCT
admet-28	257	7	2014	2014	NUM
admet-28	257	8	)	)	PUNCT
admet-28	257	9	126	126	NUM
admet-28	257	10	-	-	SYM
admet-28	257	11	142	142	NUM
admet-28	257	12	136	136	NUM
admet-28	257	13	as	as	SCONJ
admet-28	257	14	autodock	autodock	PROPN
admet-28	257	15	vina	vina	NOUN
admet-28	257	16	provides	provide	VERB
admet-28	257	17	only	only	ADV
admet-28	257	18	estimated	estimate	VERB
admet-28	257	19	overall	overall	ADJ
admet-28	257	20	energy	energy	NOUN
admet-28	257	21	of	of	ADP
admet-28	257	22	binding	bind	VERB
admet-28	257	23	of	of	ADP
admet-28	257	24	som	som	NOUN
admet-28	257	25	to	to	ADP
admet-28	257	26	respective	respective	ADJ
admet-28	257	27	biological	biological	ADJ
admet-28	257	28	targets	target	NOUN
admet-28	257	29	,	,	PUNCT
admet-28	257	30	we	we	PRON
admet-28	257	31	optimized	optimize	VERB
admet-28	257	32	and	and	CCONJ
admet-28	257	33	rescored	rescore	VERB
admet-28	257	34	binding	bind	VERB
admet-28	257	35	poses	pose	NOUN
admet-28	257	36	of	of	ADP
admet-28	257	37	comp	comp	NOUN
admet-28	257	38	.	.	PUNCT
admet-28	258	1	1	1	NUM
admet-28	258	2	and	and	CCONJ
admet-28	258	3	2	2	NUM
admet-28	258	4	by	by	ADP
admet-28	258	5	chemgauss4	chemgauss4	NOUN
admet-28	258	6	scoring	scoring	NOUN
admet-28	258	7	function	function	NOUN
admet-28	258	8	.	.	PUNCT
admet-28	259	1	according	accord	VERB
admet-28	259	2	to	to	ADP
admet-28	259	3	results	result	NOUN
admet-28	259	4	obtained	obtain	VERB
admet-28	259	5	,	,	PUNCT
admet-28	259	6	highest	high	ADJ
admet-28	259	7	contribution	contribution	NOUN
admet-28	259	8	to	to	ADP
admet-28	259	9	ligand	ligand	NOUN
admet-28	259	10	-	-	PUNCT
admet-28	259	11	hsa	hsa	PROPN
admet-28	259	12	binding	binding	NOUN
admet-28	259	13	should	should	AUX
admet-28	259	14	be	be	AUX
admet-28	259	15	ascribed	ascribe	VERB
admet-28	259	16	to	to	ADP
admet-28	259	17	steric	steric	ADJ
admet-28	259	18	interactions	interaction	NOUN
admet-28	259	19	.	.	PUNCT
admet-28	260	1	because	because	SCONJ
admet-28	260	2	the	the	DET
admet-28	260	3	cavity	cavity	NOUN
admet-28	260	4	of	of	ADP
admet-28	260	5	sudlow	sudlow	PROPN
admet-28	260	6	site	site	PROPN
admet-28	260	7	ii	ii	PROPN
admet-28	260	8	is	be	AUX
admet-28	260	9	more	more	ADV
admet-28	260	10	tight	tight	ADJ
admet-28	260	11	than	than	ADP
admet-28	260	12	the	the	DET
admet-28	260	13	cavity	cavity	NOUN
admet-28	260	14	of	of	ADP
admet-28	260	15	sudlow	sudlow	ADJ
admet-28	260	16	site	site	NOUN
admet-28	260	17	i	i	PROPN
admet-28	260	18	,	,	PUNCT
admet-28	260	19	comp	comp	NOUN
admet-28	260	20	.	.	PUNCT
admet-28	261	1	2	2	NUM
admet-28	261	2	make	make	VERB
admet-28	261	3	more	more	ADJ
admet-28	261	4	van	van	PROPN
admet-28	261	5	der	der	NOUN
admet-28	261	6	waals	waal	NOUN
admet-28	261	7	contacts	contact	NOUN
admet-28	261	8	with	with	ADP
admet-28	261	9	the	the	DET
admet-28	261	10	amino	amino	NOUN
admet-28	261	11	-	-	PUNCT
admet-28	261	12	acid	acid	NOUN
admet-28	261	13	residues	residue	NOUN
admet-28	261	14	in	in	ADP
admet-28	261	15	the	the	DET
admet-28	261	16	sudlow	sudlow	PROPN
admet-28	261	17	site	site	PROPN
admet-28	261	18	ii	ii	PROPN
admet-28	261	19	,	,	PUNCT
admet-28	261	20	comparing	compare	VERB
admet-28	261	21	with	with	ADP
admet-28	261	22	the	the	DET
admet-28	261	23	same	same	ADJ
admet-28	261	24	type	type	NOUN
admet-28	261	25	of	of	ADP
admet-28	261	26	contacts	contact	NOUN
admet-28	261	27	of	of	ADP
admet-28	261	28	the	the	DET
admet-28	261	29	comp	comp	NOUN
admet-28	261	30	.	.	PUNCT
admet-28	261	31	1	1	NUM
admet-28	261	32	with	with	ADP
admet-28	261	33	the	the	DET
admet-28	261	34	sudlow	sudlow	ADJ
admet-28	261	35	site	site	NOUN
admet-28	261	36	i	i	PRON
admet-28	261	37	(	(	PUNCT
admet-28	261	38	figure	figure	NOUN
admet-28	261	39	10	10	NUM
admet-28	261	40	,	,	PUNCT
admet-28	261	41	table	table	NOUN
admet-28	261	42	5	5	NUM
admet-28	261	43	)	)	PUNCT
admet-28	261	44	.	.	PUNCT
admet-28	262	1	a	a	DET
admet-28	262	2	)	)	PUNCT
admet-28	262	3	b	b	NOUN
admet-28	262	4	)	)	PUNCT
admet-28	262	5	figure	figure	NOUN
admet-28	262	6	10	10	NUM
admet-28	262	7	.	.	PUNCT
admet-28	263	1	schematic	schematic	ADJ
admet-28	263	2	depiction	depiction	NOUN
admet-28	263	3	of	of	ADP
admet-28	263	4	steric	steric	ADJ
admet-28	263	5	contacts	contact	NOUN
admet-28	263	6	between	between	ADP
admet-28	263	7	comp	comp	NOUN
admet-28	263	8	.	.	PUNCT
admet-28	264	1	1	1	NUM
admet-28	264	2	(	(	PUNCT
admet-28	264	3	a	a	NOUN
admet-28	264	4	)	)	PUNCT
admet-28	264	5	,	,	PUNCT
admet-28	264	6	and	and	CCONJ
admet-28	264	7	comp	comp	NOUN
admet-28	264	8	.	.	PUNCT
admet-28	265	1	2	2	NUM
admet-28	265	2	(	(	PUNCT
admet-28	265	3	b	b	NOUN
admet-28	265	4	)	)	PUNCT
admet-28	265	5	with	with	ADP
admet-28	265	6	the	the	DET
admet-28	265	7	sudlow	sudlow	ADJ
admet-28	265	8	site	site	NOUN
admet-28	265	9	i	i	PRON
admet-28	265	10	and	and	CCONJ
admet-28	265	11	the	the	DET
admet-28	265	12	sudlow	sudlow	PROPN
admet-28	265	13	site	site	PROPN
admet-28	265	14	ii	ii	PROPN
admet-28	265	15	,	,	PUNCT
admet-28	265	16	respectively	respectively	ADV
admet-28	265	17	.	.	PUNCT
admet-28	266	1	solid	solid	ADJ
admet-28	266	2	lines	line	NOUN
admet-28	266	3	represent	represent	VERB
admet-28	266	4	protein	protein	NOUN
admet-28	266	5	contacts	contact	NOUN
admet-28	266	6	,	,	PUNCT
admet-28	266	7	notch	notch	ADJ
admet-28	266	8	lines	line	NOUN
admet-28	266	9	–	–	PUNCT
admet-28	266	10	protein	protein	NOUN
admet-28	266	11	cavity	cavity	NOUN
admet-28	266	12	.	.	PUNCT
admet-28	267	1	more	more	ADV
admet-28	267	2	apolar	apolar	ADJ
admet-28	267	3	residues	residue	NOUN
admet-28	267	4	in	in	ADP
admet-28	267	5	sudlow	sudlow	PROPN
admet-28	267	6	site	site	PROPN
admet-28	267	7	ii	ii	PROPN
admet-28	267	8	,	,	PUNCT
admet-28	267	9	comparing	compare	VERB
admet-28	267	10	to	to	ADP
admet-28	267	11	sudlow	sudlow	ADJ
admet-28	267	12	site	site	NOUN
admet-28	267	13	i	i	PROPN
admet-28	267	14	,	,	PUNCT
admet-28	267	15	causes	cause	VERB
admet-28	267	16	less	less	ADV
admet-28	267	17	favorable	favorable	ADJ
admet-28	267	18	protein	protein	NOUN
admet-28	267	19	desolvation	desolvation	NOUN
admet-28	267	20	term	term	NOUN
admet-28	267	21	for	for	ADP
admet-28	267	22	the	the	DET
admet-28	267	23	comp	comp	NOUN
admet-28	267	24	.	.	PUNCT
admet-28	268	1	1	1	NUM
admet-28	268	2	binding	bind	VERB
admet-28	268	3	to	to	ADP
admet-28	268	4	sudlow	sudlow	VERB
admet-28	268	5	site	site	NOUN
admet-28	268	6	i	i	PROPN
admet-28	268	7	,	,	PUNCT
admet-28	268	8	comparing	compare	VERB
admet-28	268	9	to	to	ADP
admet-28	268	10	the	the	DET
admet-28	268	11	same	same	ADJ
admet-28	268	12	term	term	NOUN
admet-28	268	13	for	for	ADP
admet-28	268	14	the	the	DET
admet-28	268	15	binding	binding	NOUN
admet-28	268	16	of	of	ADP
admet-28	268	17	comp	comp	NOUN
admet-28	268	18	.	.	PUNCT
admet-28	269	1	2	2	NUM
admet-28	269	2	to	to	PART
admet-28	269	3	sudlow	sudlow	VERB
admet-28	269	4	site	site	PROPN
admet-28	269	5	ii	ii	PROPN
admet-28	269	6	.	.	PUNCT
admet-28	270	1	in	in	ADP
admet-28	270	2	this	this	DET
admet-28	270	3	respect	respect	NOUN
admet-28	270	4	,	,	PUNCT
admet-28	270	5	it	it	PRON
admet-28	270	6	should	should	AUX
admet-28	270	7	be	be	AUX
admet-28	270	8	noted	note	VERB
admet-28	270	9	that	that	SCONJ
admet-28	270	10	in	in	ADP
admet-28	270	11	the	the	DET
admet-28	270	12	frame	frame	NOUN
admet-28	270	13	of	of	ADP
admet-28	270	14	the	the	DET
admet-28	270	15	sudlow	sudlow	PROPN
admet-28	270	16	site	site	PROPN
admet-28	270	17	ii	ii	PROPN
admet-28	270	18	,	,	PUNCT
admet-28	270	19	global	global	ADJ
admet-28	270	20	minimum	minimum	NOUN
admet-28	270	21	(	(	PUNCT
admet-28	270	22	–	–	PUNCT
admet-28	270	23	11.4	11.4	NUM
admet-28	270	24	kcal	kcal	NOUN
admet-28	270	25	/	/	SYM
admet-28	270	26	mol	mol	NOUN
admet-28	270	27	)	)	PUNCT
admet-28	270	28	of	of	ADP
admet-28	270	29	grid	grid	NOUN
admet-28	270	30	water	water	NOUN
admet-28	270	31	probe	probe	NOUN
admet-28	270	32	was	be	AUX
admet-28	270	33	found	find	VERB
admet-28	270	34	at	at	ADP
admet-28	270	35	the	the	DET
admet-28	270	36	very	very	ADJ
admet-28	270	37	bottom	bottom	NOUN
admet-28	270	38	of	of	ADP
admet-28	270	39	this	this	DET
admet-28	270	40	site	site	NOUN
admet-28	270	41	(	(	PUNCT
admet-28	270	42	figure	figure	NOUN
admet-28	270	43	13	13	NUM
admet-28	270	44	b	b	NOUN
admet-28	270	45	)	)	PUNCT
admet-28	270	46	.	.	PUNCT
admet-28	271	1	this	this	DET
admet-28	271	2	position	position	NOUN
admet-28	271	3	is	be	AUX
admet-28	271	4	flanked	flank	VERB
admet-28	271	5	with	with	ADP
admet-28	271	6	ser342	ser342	PROPN
admet-28	271	7	,	,	PUNCT
admet-28	271	8	arg348	arg348	NOUN
admet-28	271	9	,	,	PUNCT
admet-28	271	10	and	and	CCONJ
admet-28	271	11	met446	met446	PROPN
admet-28	271	12	.	.	PUNCT
admet-28	272	1	this	this	PRON
admet-28	272	2	is	be	AUX
admet-28	272	3	in	in	ADP
admet-28	272	4	agreement	agreement	NOUN
admet-28	272	5	with	with	ADP
admet-28	272	6	the	the	DET
admet-28	272	7	structural	structural	ADJ
admet-28	272	8	features	feature	NOUN
admet-28	272	9	of	of	ADP
admet-28	272	10	sudlow	sudlow	PROPN
admet-28	272	11	site	site	PROPN
admet-28	272	12	ii	ii	PROPN
admet-28	272	13	binders	binder	NOUN
admet-28	272	14	,	,	PUNCT
admet-28	272	15	bearing	bear	VERB
admet-28	272	16	h	h	NOUN
admet-28	272	17	-	-	PUNCT
admet-28	272	18	bond	bond	NOUN
admet-28	272	19	donors	donor	NOUN
admet-28	272	20	or	or	CCONJ
admet-28	272	21	h	h	NOUN
admet-28	272	22	-	-	PUNCT
admet-28	272	23	bond	bond	NOUN
admet-28	272	24	acceptors	acceptor	NOUN
admet-28	272	25	at	at	ADP
admet-28	272	26	the	the	DET
admet-28	272	27	termini	termini	NOUN
admet-28	272	28	of	of	ADP
admet-28	272	29	the	the	DET
admet-28	272	30	hydrophobic	hydrophobic	ADJ
admet-28	272	31	part	part	NOUN
admet-28	272	32	of	of	ADP
admet-28	272	33	molecules	molecule	NOUN
admet-28	272	34	(	(	PUNCT
admet-28	272	35	naproxen	naproxen	NOUN
admet-28	272	36	,	,	PUNCT
admet-28	272	37	6	6	NUM
admet-28	272	38	-	-	PUNCT
admet-28	272	39	mna	mna	PROPN
admet-28	272	40	,	,	PUNCT
admet-28	272	41	iopanoic	iopanoic	ADJ
admet-28	272	42	acid	acid	NOUN
admet-28	272	43	,	,	PUNCT
admet-28	272	44	etc	etc	X
admet-28	272	45	.	.	X
admet-28	272	46	)	)	PUNCT
admet-28	272	47	.	.	PUNCT
admet-28	273	1	as	as	SCONJ
admet-28	273	2	expected	expect	VERB
admet-28	273	3	,	,	PUNCT
admet-28	273	4	ligand	ligand	ADJ
admet-28	273	5	desolvation	desolvation	NOUN
admet-28	273	6	term	term	NOUN
admet-28	273	7	is	be	AUX
admet-28	273	8	less	less	ADV
admet-28	273	9	favorable	favorable	ADJ
admet-28	273	10	for	for	ADP
admet-28	273	11	the	the	DET
admet-28	273	12	comp	comp	NOUN
admet-28	273	13	.	.	PUNCT
admet-28	274	1	1	1	NUM
admet-28	274	2	comparing	compare	VERB
admet-28	274	3	to	to	ADP
admet-28	274	4	comp	comp	NOUN
admet-28	274	5	.	.	PUNCT
admet-28	275	1	2	2	NUM
admet-28	275	2	,	,	PUNCT
admet-28	275	3	as	as	ADP
admet-28	275	4	two	two	NUM
admet-28	275	5	carboxylates	carboxylate	NOUN
admet-28	275	6	vs.	vs.	ADP
admet-28	275	7	one	one	NUM
admet-28	275	8	,	,	PUNCT
admet-28	275	9	respectively	respectively	ADV
admet-28	275	10	,	,	PUNCT
admet-28	275	11	should	should	AUX
admet-28	275	12	be	be	AUX
admet-28	275	13	desolvated	desolvate	VERB
admet-28	275	14	.	.	PUNCT
admet-28	276	1	on	on	ADP
admet-28	276	2	the	the	DET
admet-28	276	3	other	other	ADJ
admet-28	276	4	hand	hand	NOUN
admet-28	276	5	,	,	PUNCT
admet-28	276	6	comp	comp	NOUN
admet-28	276	7	.	.	PUNCT
admet-28	277	1	1	1	NUM
admet-28	277	2	bound	bind	VERB
admet-28	277	3	to	to	ADP
admet-28	277	4	the	the	DET
admet-28	277	5	sudlow	sudlow	ADJ
admet-28	277	6	site	site	NOUN
admet-28	277	7	i	i	PRON
admet-28	277	8	makes	make	VERB
admet-28	277	9	more	more	ADJ
admet-28	277	10	polar	polar	ADJ
admet-28	277	11	contacts	contact	NOUN
admet-28	277	12	(	(	PUNCT
admet-28	277	13	salt	salt	NOUN
admet-28	277	14	bridges	bridge	NOUN
admet-28	277	15	)	)	PUNCT
admet-28	277	16	comparing	compare	VERB
admet-28	277	17	to	to	ADP
admet-28	277	18	comp	comp	NOUN
admet-28	277	19	.	.	PUNCT
admet-28	278	1	2	2	NUM
admet-28	278	2	bound	bind	VERB
admet-28	278	3	to	to	PART
admet-28	278	4	sudlow	sudlow	VERB
admet-28	278	5	site	site	PROPN
admet-28	278	6	ii	ii	PROPN
admet-28	278	7	(	(	PUNCT
admet-28	278	8	polar	polar	ADJ
admet-28	278	9	contacts	contact	NOUN
admet-28	278	10	with	with	ADP
admet-28	278	11	arg410	arg410	PROPN
admet-28	278	12	and	and	CCONJ
admet-28	278	13	tyr411	tyr411	PROPN
admet-28	278	14	,	,	PUNCT
admet-28	278	15	figure	figure	NOUN
admet-28	278	16	9b	9b	NUM
admet-28	278	17	)	)	PUNCT
admet-28	278	18	,	,	PUNCT
admet-28	278	19	thus	thus	ADV
admet-28	278	20	h	h	NOUN
admet-28	278	21	-	-	PUNCT
admet-28	278	22	bonding	bond	VERB
admet-28	278	23	term	term	NOUN
admet-28	278	24	of	of	ADP
admet-28	278	25	the	the	DET
admet-28	278	26	bound	bind	VERB
admet-28	278	27	ligand	ligand	NOUN
admet-28	278	28	is	be	AUX
admet-28	278	29	more	more	ADV
admet-28	278	30	favorable	favorable	ADJ
admet-28	278	31	for	for	ADP
admet-28	278	32	the	the	DET
admet-28	278	33	comp	comp	NOUN
admet-28	278	34	.	.	PUNCT
admet-28	279	1	2	2	X
admet-28	279	2	.	.	X
admet-28	279	3	table	table	NOUN
admet-28	279	4	5	5	NUM
admet-28	279	5	.	.	PUNCT
admet-28	280	1	the	the	DET
admet-28	280	2	autodock	autodock	PROPN
admet-28	280	3	vina	vina	NOUN
admet-28	280	4	and	and	CCONJ
admet-28	280	5	the	the	DET
admet-28	280	6	chemgauss4	chemgauss4	PROPN
admet-28	280	7	scores	score	VERB
admet-28	280	8	for	for	ADP
admet-28	280	9	the	the	DET
admet-28	280	10	best	well	ADV
admet-28	280	11	-	-	PUNCT
admet-28	280	12	ranked	rank	VERB
admet-28	280	13	docking	docking	NOUN
admet-28	280	14	solutions	solution	NOUN
admet-28	280	15	of	of	ADP
admet-28	280	16	the	the	DET
admet-28	280	17	comp	comp	NOUN
admet-28	280	18	.	.	PUNCT
admet-28	281	1	1	1	NUM
admet-28	282	1	and	and	CCONJ
admet-28	282	2	the	the	DET
admet-28	282	3	comp	comp	NOUN
admet-28	282	4	.	.	PUNCT
admet-28	282	5	2	2	NUM
admet-28	282	6	with	with	ADP
admet-28	282	7	the	the	DET
admet-28	282	8	hsa	hsa	PROPN
admet-28	282	9	.	.	PUNCT
admet-28	282	10	comp	comp	PROPN
admet-28	282	11	.	.	PUNCT
admet-28	283	1	vina	vina	PROPN
admet-28	283	2	affinity	affinity	PROPN
admet-28	283	3	*	*	PUNCT
admet-28	283	4	total	total	ADJ
admet-28	283	5	score	score	NOUN
admet-28	283	6	*	*	PUNCT
admet-28	283	7	*	*	ADJ
admet-28	283	8	steric	steric	ADJ
admet-28	283	9	clash	clash	VERB
admet-28	283	10	protdesolv	protdesolv	PROPN
admet-28	283	11	ligdesolv	ligdesolv	PROPN
admet-28	283	12	ligdesolvhb	ligdesolvhb	NOUN
admet-28	283	13	hb	hb	PROPN
admet-28	283	14	1	1	NUM
admet-28	283	15	–	–	PUNCT
admet-28	283	16	8.4	8.4	NUM
admet-28	283	17	–	–	SYM
admet-28	283	18	10.3343	10.3343	NUM
admet-28	283	19	–	–	PUNCT
admet-28	283	20	16.3915	16.3915	NUM
admet-28	283	21	0.3990	0.3990	NUM
admet-28	283	22	5.2717	5.2717	NUM
admet-28	283	23	4.7171	4.7171	NUM
admet-28	283	24	–	–	PUNCT
admet-28	283	25	1.2244	1.2244	NUM
admet-28	283	26	–	–	PUNCT
admet-28	283	27	3.1062	3.1062	NUM
admet-28	283	28	2	2	NUM
admet-28	283	29	–	–	PUNCT
admet-28	283	30	7.8	7.8	NUM
admet-28	283	31	–	–	PUNCT
admet-28	283	32	14.9374	14.9374	NUM
admet-28	283	33	–	–	PUNCT
admet-28	283	34	19.7829	19.7829	NUM
admet-28	283	35	0.3619	0.3619	NUM
admet-28	283	36	3.6944	3.6944	NUM
admet-28	283	37	2.8418	2.8418	NUM
admet-28	283	38	–	–	PUNCT
admet-28	283	39	0.8252	0.8252	NUM
admet-28	283	40	–	–	PUNCT
admet-28	283	41	1.2274	1.2274	NUM
admet-28	283	42	*	*	VERB
admet-28	283	43	in	in	ADP
admet-28	283	44	kcal	kcal	PROPN
admet-28	283	45	/	/	SYM
admet-28	283	46	mol	mol	PROPN
admet-28	283	47	;	;	PUNCT
admet-28	283	48	*	*	PUNCT
admet-28	283	49	*	*	NOUN
admet-28	283	50	components	component	NOUN
admet-28	283	51	of	of	ADP
admet-28	283	52	score	score	NOUN
admet-28	283	53	,	,	PUNCT
admet-28	283	54	and	and	CCONJ
admet-28	283	55	the	the	DET
admet-28	283	56	total	total	ADJ
admet-28	283	57	score	score	NOUN
admet-28	283	58	obtained	obtain	VERB
admet-28	283	59	by	by	ADP
admet-28	283	60	chemgauss	chemgauss	ADJ
admet-28	283	61	scoring	scoring	NOUN
admet-28	283	62	function	function	NOUN
admet-28	283	63	are	be	AUX
admet-28	283	64	dimensionless	dimensionless	NOUN
admet-28	283	65	.	.	PUNCT
admet-28	284	1	as	as	SCONJ
admet-28	284	2	ionic	ionic	ADJ
admet-28	284	3	bridges	bridge	NOUN
admet-28	284	4	that	that	PRON
admet-28	284	5	tightly	tightly	ADV
admet-28	284	6	anchor	anchor	NOUN
admet-28	284	7	comp	comp	NOUN
admet-28	284	8	.	.	PUNCT
admet-28	284	9	1	1	NUM
admet-28	284	10	to	to	PART
admet-28	284	11	sudlow	sudlow	ADJ
admet-28	284	12	site	site	NOUN
admet-28	284	13	i	i	PRON
admet-28	284	14	were	be	AUX
admet-28	284	15	observed	observe	VERB
admet-28	284	16	from	from	ADP
admet-28	284	17	docking	dock	VERB
admet-28	284	18	solutions	solution	NOUN
admet-28	284	19	,	,	PUNCT
admet-28	284	20	we	we	PRON
admet-28	284	21	searched	search	VERB
admet-28	284	22	pdb	pdb	PROPN
admet-28	284	23	database	database	NOUN
admet-28	284	24	for	for	ADP
admet-28	284	25	structures	structure	NOUN
admet-28	284	26	of	of	ADP
admet-28	284	27	hsa	hsa	PROPN
admet-28	284	28	cocrystallized	cocrystallize	VERB
admet-28	284	29	with	with	ADP
admet-28	284	30	som	som	NOUN
admet-28	284	31	,	,	PUNCT
admet-28	284	32	having	have	VERB
admet-28	284	33	similar	similar	ADJ
admet-28	284	34	structural	structural	ADJ
admet-28	284	35	features	feature	NOUN
admet-28	284	36	.	.	PUNCT
admet-28	285	1	three	three	NUM
admet-28	285	2	such	such	ADJ
admet-28	285	3	structures	structure	NOUN
admet-28	285	4	were	be	AUX
admet-28	285	5	found	find	VERB
admet-28	285	6	:	:	PUNCT
admet-28	285	7	2bxa	2bxa	NUM
admet-28	285	8	–	–	PUNCT
admet-28	285	9	cmpf	cmpf	NOUN
admet-28	285	10	(	(	PUNCT
admet-28	285	11	3	3	NUM
admet-28	285	12	-	-	PUNCT
admet-28	285	13	carboxy-4	carboxy-4	NUM
admet-28	285	14	-	-	PUNCT
admet-28	285	15	methyl-5	methyl-5	NOUN
admet-28	285	16	-	-	PUNCT
admet-28	285	17	propyl-2	propyl-2	VERB
admet-28	285	18	-	-	PUNCT
admet-28	285	19	furanpropanoic	furanpropanoic	ADJ
admet-28	285	20	acid	acid	NOUN
admet-28	285	21	)	)	PUNCT
admet-28	285	22	bound	bind	VERB
admet-28	285	23	to	to	PART
admet-28	285	24	sudlow	sudlow	VERB
admet-28	285	25	site	site	NOUN
admet-28	285	26	i.	i.	PROPN
admet-28	285	27	carboxylates	carboxylate	NOUN
admet-28	285	28	of	of	ADP
admet-28	285	29	the	the	DET
admet-28	285	30	ligand	ligand	NOUN
admet-28	285	31	make	make	VERB
admet-28	285	32	salt	salt	NOUN
admet-28	285	33	bridges	bridge	NOUN
admet-28	285	34	with	with	ADP
admet-28	285	35	arg222	arg222	PROPN
admet-28	285	36	,	,	PUNCT
admet-28	285	37	lys199	lys199	PROPN
admet-28	285	38	and	and	CCONJ
admet-28	285	39	arg257	arg257	NOUN
admet-28	285	40	[	[	X
admet-28	285	41	6	6	NUM
admet-28	285	42	]	]	PUNCT
admet-28	285	43	.	.	PUNCT
admet-28	286	1	admet	admet	PROPN
admet-28	286	2	&	&	CCONJ
admet-28	286	3	dmpk	dmpk	PROPN
admet-28	286	4	2(2	2(2	NUM
admet-28	286	5	)	)	PUNCT
admet-28	286	6	(	(	PUNCT
admet-28	286	7	2014	2014	NUM
admet-28	286	8	)	)	PUNCT
admet-28	286	9	126	126	NUM
admet-28	286	10	-	-	SYM
admet-28	286	11	142	142	NUM
admet-28	286	12	hsa	hsa	PROPN
admet-28	286	13	binding	bind	VERB
admet-28	286	14	doi	doi	NOUN
admet-28	286	15	:	:	PUNCT
admet-28	286	16	10.5599	10.5599	NUM
admet-28	286	17	/	/	SYM
admet-28	286	18	admet.2.2.28	admet.2.2.28	NOUN
admet-28	286	19	137	137	NUM
admet-28	286	20	2xsi	2xsi	NUM
admet-28	286	21	–	–	PUNCT
admet-28	286	22	dansyl	dansyl	NOUN
admet-28	286	23	-	-	PUNCT
admet-28	286	24	l	l	NOUN
admet-28	286	25	-	-	NOUN
admet-28	286	26	glutamate	glutamate	NOUN
admet-28	286	27	bound	bind	VERB
admet-28	286	28	to	to	PART
admet-28	286	29	sudlow	sudlow	VERB
admet-28	286	30	site	site	NOUN
admet-28	286	31	i.	i.	PROPN
admet-28	286	32	one	one	NUM
admet-28	286	33	carboxylate	carboxylate	NOUN
admet-28	286	34	makes	make	VERB
admet-28	286	35	the	the	DET
admet-28	286	36	salt	salt	NOUN
admet-28	286	37	bridge	bridge	NOUN
admet-28	286	38	with	with	ADP
admet-28	286	39	lys199	lys199	PROPN
admet-28	286	40	,	,	PUNCT
admet-28	286	41	the	the	DET
admet-28	286	42	second	second	ADJ
admet-28	286	43	carboxylate	carboxylate	NOUN
admet-28	286	44	is	be	AUX
admet-28	286	45	in	in	ADP
admet-28	286	46	close	close	ADJ
admet-28	286	47	vicinity	vicinity	NOUN
admet-28	286	48	of	of	ADP
admet-28	286	49	arg	arg	PROPN
admet-28	286	50	’s	’s	NOUN
admet-28	286	51	218	218	NUM
admet-28	286	52	and	and	CCONJ
admet-28	286	53	222	222	NUM
admet-28	287	1	[	[	X
admet-28	287	2	39	39	NUM
admet-28	287	3	]	]	PUNCT
admet-28	287	4	;	;	PUNCT
admet-28	287	5	2xvw	2xvw	NUM
admet-28	287	6	–	–	PUNCT
admet-28	287	7	dansyl	dansyl	NOUN
admet-28	287	8	-	-	PUNCT
admet-28	287	9	l	l	NOUN
admet-28	287	10	-	-	NOUN
admet-28	287	11	arginine	arginine	NOUN
admet-28	287	12	bound	bind	VERB
admet-28	287	13	to	to	PART
admet-28	287	14	sudlow	sudlow	VERB
admet-28	287	15	site	site	NOUN
admet-28	287	16	i	i	PRON
admet-28	287	17	[	[	X
admet-28	287	18	39	39	NUM
admet-28	287	19	]	]	PUNCT
admet-28	287	20	.	.	PUNCT
admet-28	288	1	the	the	DET
admet-28	288	2	guanidino	guanidino	PROPN
admet-28	288	3	moiety	moiety	NOUN
admet-28	288	4	of	of	ADP
admet-28	288	5	the	the	DET
admet-28	288	6	ligand	ligand	NOUN
admet-28	288	7	makes	make	VERB
admet-28	288	8	the	the	DET
admet-28	288	9	salt	salt	NOUN
admet-28	288	10	bridge	bridge	NOUN
admet-28	288	11	with	with	ADP
admet-28	288	12	the	the	DET
admet-28	288	13	glu153	glu153	PROPN
admet-28	288	14	,	,	PUNCT
admet-28	288	15	carboxylate	carboxylate	NOUN
admet-28	288	16	of	of	ADP
admet-28	288	17	the	the	DET
admet-28	288	18	ligand	ligand	NOUN
admet-28	288	19	is	be	AUX
admet-28	288	20	in	in	ADP
admet-28	288	21	the	the	DET
admet-28	288	22	close	close	ADJ
admet-28	288	23	vicinity	vicinity	NOUN
admet-28	288	24	of	of	ADP
admet-28	288	25	arg218	arg218	NOUN
admet-28	288	26	.	.	PUNCT
admet-28	289	1	in	in	ADP
admet-28	289	2	all	all	DET
admet-28	289	3	three	three	NUM
admet-28	289	4	structures	structure	NOUN
admet-28	289	5	the	the	DET
admet-28	289	6	two	two	NUM
admet-28	289	7	salt	salt	NOUN
admet-28	289	8	bridges	bridge	NOUN
admet-28	289	9	between	between	ADP
admet-28	289	10	the	the	DET
admet-28	289	11	ligand	ligand	ADJ
admet-28	289	12	and	and	CCONJ
admet-28	289	13	side	side	NOUN
admet-28	289	14	-	-	PUNCT
admet-28	289	15	chains	chain	NOUN
admet-28	289	16	of	of	ADP
admet-28	289	17	the	the	DET
admet-28	289	18	protein	protein	NOUN
admet-28	289	19	are	be	AUX
admet-28	289	20	highly	highly	ADV
admet-28	289	21	probable	probable	ADJ
admet-28	289	22	.	.	PUNCT
admet-28	290	1	afterwards	afterwards	ADV
admet-28	290	2	,	,	PUNCT
admet-28	290	3	we	we	PRON
admet-28	290	4	performed	perform	VERB
admet-28	290	5	molecular	molecular	ADJ
admet-28	290	6	dynamics	dynamic	NOUN
admet-28	290	7	simulation	simulation	NOUN
admet-28	290	8	of	of	ADP
admet-28	290	9	the	the	DET
admet-28	290	10	comp	comp	NOUN
admet-28	290	11	.	.	PUNCT
admet-28	291	1	1	1	NUM
admet-28	291	2	/	/	SYM
admet-28	291	3	hsa	hsa	PROPN
admet-28	291	4	complex	complex	NOUN
admet-28	291	5	,	,	PUNCT
admet-28	291	6	starting	start	VERB
admet-28	291	7	from	from	ADP
admet-28	291	8	the	the	DET
admet-28	291	9	structure	structure	NOUN
admet-28	291	10	obtained	obtain	VERB
admet-28	291	11	from	from	ADP
admet-28	291	12	docking	docking	NOUN
admet-28	291	13	.	.	PUNCT
admet-28	292	1	system	system	NOUN
admet-28	292	2	was	be	AUX
admet-28	292	3	set	set	VERB
admet-28	292	4	in	in	ADP
admet-28	292	5	a	a	DET
admet-28	292	6	way	way	NOUN
admet-28	292	7	similar	similar	ADJ
admet-28	292	8	to	to	ADP
admet-28	292	9	settings	setting	NOUN
admet-28	292	10	for	for	ADP
admet-28	292	11	docking	docking	NOUN
admet-28	292	12	.	.	PUNCT
admet-28	293	1	protein	protein	NOUN
admet-28	293	2	with	with	ADP
admet-28	293	3	docked	docked	ADJ
admet-28	293	4	ligand	ligand	NOUN
admet-28	293	5	and	and	CCONJ
admet-28	293	6	myristic	myristic	ADJ
admet-28	293	7	acid	acid	NOUN
admet-28	293	8	molecules	molecule	NOUN
admet-28	293	9	was	be	AUX
admet-28	293	10	neutralized	neutralize	VERB
admet-28	293	11	,	,	PUNCT
admet-28	293	12	embedded	embed	VERB
admet-28	293	13	in	in	ADP
admet-28	293	14	water	water	NOUN
admet-28	293	15	sphere	sphere	ADV
admet-28	293	16	,	,	PUNCT
admet-28	293	17	then	then	ADV
admet-28	293	18	minimized	minimize	VERB
admet-28	293	19	,	,	PUNCT
admet-28	293	20	and	and	CCONJ
admet-28	293	21	heated	heated	ADJ
admet-28	293	22	.	.	PUNCT
admet-28	294	1	system	system	NOUN
admet-28	294	2	prepared	prepare	VERB
admet-28	294	3	in	in	ADP
admet-28	294	4	this	this	DET
admet-28	294	5	way	way	NOUN
admet-28	294	6	was	be	AUX
admet-28	294	7	submitted	submit	VERB
admet-28	294	8	to	to	ADP
admet-28	294	9	3	3	NUM
admet-28	294	10	ns	ns	NUM
admet-28	294	11	of	of	ADP
admet-28	294	12	unconstrained	unconstrained	ADJ
admet-28	294	13	md	md	PROPN
admet-28	294	14	simulations	simulation	NOUN
admet-28	294	15	.	.	PUNCT
admet-28	295	1	analyzing	analyze	VERB
admet-28	295	2	the	the	DET
admet-28	295	3	md	md	PROPN
admet-28	295	4	trajectory	trajectory	NOUN
admet-28	295	5	,	,	PUNCT
admet-28	295	6	we	we	PRON
admet-28	295	7	found	find	VERB
admet-28	295	8	that	that	SCONJ
admet-28	295	9	examined	examine	VERB
admet-28	295	10	comp	comp	NOUN
admet-28	295	11	.	.	PUNCT
admet-28	296	1	1	1	NUM
admet-28	296	2	is	be	AUX
admet-28	296	3	tightly	tightly	ADV
admet-28	296	4	bound	bind	VERB
admet-28	296	5	to	to	PART
admet-28	296	6	sudlow	sudlow	VERB
admet-28	296	7	site	site	NOUN
admet-28	297	1	i	i	PRON
admet-28	297	2	:	:	PUNCT
admet-28	297	3	it	it	PRON
admet-28	297	4	was	be	AUX
admet-28	297	5	anchored	anchor	VERB
admet-28	297	6	by	by	ADP
admet-28	297	7	salt	salt	NOUN
admet-28	297	8	bridges	bridge	NOUN
admet-28	297	9	of	of	ADP
admet-28	297	10	two	two	NUM
admet-28	297	11	carboxylates	carboxylate	NOUN
admet-28	297	12	with	with	ADP
admet-28	297	13	arg	arg	NOUN
admet-28	297	14	–	–	PUNCT
admet-28	297	15	nh(nh2)2	nh(nh2)2	NOUN
admet-28	297	16	and	and	CCONJ
admet-28	297	17	lys	lys	PROPN
admet-28	297	18	terminal	terminal	PROPN
admet-28	297	19	–	–	PUNCT
admet-28	297	20	nh3	nh3	NUM
admet-28	297	21	moieties	moiety	NOUN
admet-28	297	22	;	;	PUNCT
admet-28	297	23	lys199	lys199	PROPN
admet-28	297	24	,	,	PUNCT
admet-28	297	25	lys219	lys219	PROPN
admet-28	297	26	,	,	PUNCT
admet-28	297	27	arg218	arg218	NOUN
admet-28	297	28	,	,	PUNCT
admet-28	297	29	and	and	CCONJ
admet-28	297	30	arg257	arg257	NOUN
admet-28	297	31	were	be	AUX
admet-28	297	32	involved	involve	VERB
admet-28	297	33	in	in	ADP
admet-28	297	34	salt	salt	NOUN
admet-28	297	35	bridges	bridge	NOUN
admet-28	297	36	.	.	PUNCT
admet-28	298	1	distances	distance	NOUN
admet-28	298	2	between	between	ADP
admet-28	298	3	arg	arg	NOUN
admet-28	298	4	guanidino	guanidino	PROPN
admet-28	298	5	moiety	moiety	PROPN
admet-28	298	6	and	and	CCONJ
admet-28	298	7	comp	comp	NOUN
admet-28	298	8	.	.	PUNCT
admet-28	299	1	1	1	NUM
admet-28	299	2	carboxylates	carboxylate	NOUN
admet-28	299	3	were	be	AUX
admet-28	299	4	defined	define	VERB
admet-28	299	5	as	as	ADP
admet-28	299	6	–	–	PUNCT
admet-28	299	7	nhc(nh2)2	nhc(nh2)2	ADJ
admet-28	299	8	to	to	PART
admet-28	299	9	–	–	PUNCT
admet-28	299	10	coo	coo	NOUN
admet-28	299	11	–	–	PUNCT
admet-28	299	12	atoms	atom	NOUN
admet-28	299	13	;	;	PUNCT
admet-28	299	14	while	while	SCONJ
admet-28	299	15	distances	distance	NOUN
admet-28	299	16	with	with	ADP
admet-28	299	17	lys	lys	NOUN
admet-28	299	18	were	be	AUX
admet-28	299	19	defined	define	VERB
admet-28	299	20	as	as	ADP
admet-28	299	21	terminal	terminal	NOUN
admet-28	299	22	(	(	PUNCT
admet-28	299	23	nξ	nξ	PROPN
admet-28	299	24	)	)	PUNCT
admet-28	299	25	–	–	PUNCT
admet-28	299	26	n	n	PRON
admet-28	299	27	+	+	CCONJ
admet-28	299	28	3h	3h	NUM
admet-28	299	29	of	of	ADP
admet-28	299	30	lysine	lysine	NOUN
admet-28	299	31	to	to	ADP
admet-28	299	32	–	–	PUNCT
admet-28	299	33	coo	coo	NOUN
admet-28	299	34	–	–	PUNCT
admet-28	299	35	distance	distance	NOUN
admet-28	299	36	.	.	PUNCT
admet-28	300	1	fluctuations	fluctuation	NOUN
admet-28	300	2	of	of	ADP
admet-28	300	3	these	these	DET
admet-28	300	4	distances	distance	NOUN
admet-28	300	5	are	be	AUX
admet-28	300	6	illustrated	illustrate	VERB
admet-28	300	7	on	on	ADP
admet-28	300	8	figure	figure	NOUN
admet-28	300	9	11	11	NUM
admet-28	300	10	.	.	PUNCT
admet-28	301	1	hydrophobic	hydrophobic	NOUN
admet-28	301	2	part	part	NOUN
admet-28	301	3	appeared	appear	VERB
admet-28	301	4	fairly	fairly	ADV
admet-28	301	5	more	more	ADV
admet-28	301	6	mobile	mobile	ADJ
admet-28	301	7	,	,	PUNCT
admet-28	301	8	as	as	SCONJ
admet-28	301	9	compared	compare	VERB
admet-28	301	10	to	to	ADP
admet-28	301	11	polar	polar	ADJ
admet-28	301	12	parts	part	NOUN
admet-28	301	13	of	of	ADP
admet-28	301	14	1	1	NUM
admet-28	301	15	.	.	PUNCT
admet-28	302	1	distances	distance	NOUN
admet-28	302	2	between	between	ADP
admet-28	302	3	leu219	leu219	PROPN
admet-28	302	4	,	,	PUNCT
admet-28	302	5	leu238	leu238	PROPN
admet-28	302	6	,	,	PUNCT
admet-28	302	7	ile264	ile264	NOUN
admet-28	302	8	,	,	PUNCT
admet-28	302	9	and	and	CCONJ
admet-28	302	10	tert	tert	NOUN
admet-28	302	11	-	-	PUNCT
admet-28	302	12	bu	bu	NOUN
admet-28	302	13	group	group	NOUN
admet-28	302	14	of	of	ADP
admet-28	302	15	1	1	NUM
admet-28	302	16	significantly	significantly	ADV
admet-28	302	17	increase	increase	VERB
admet-28	302	18	(	(	PUNCT
admet-28	302	19	comparing	compare	VERB
admet-28	302	20	to	to	ADP
admet-28	302	21	docked	dock	VERB
admet-28	302	22	solution	solution	NOUN
admet-28	302	23	(	(	PUNCT
admet-28	302	24	3.3	3.3	NOUN
admet-28	302	25	-	-	PUNCT
admet-28	302	26	3.6	3.6	NUM
admet-28	302	27	å	å	NOUN
admet-28	302	28	)	)	PUNCT
admet-28	302	29	)	)	PUNCT
admet-28	302	30	during	during	ADP
admet-28	302	31	first	first	ADJ
admet-28	302	32	0.5	0.5	NUM
admet-28	302	33	ns	ns	NUM
admet-28	302	34	of	of	ADP
admet-28	302	35	simulations	simulation	NOUN
admet-28	302	36	;	;	PUNCT
admet-28	302	37	at	at	ADP
admet-28	302	38	the	the	DET
admet-28	302	39	end	end	NOUN
admet-28	302	40	of	of	ADP
admet-28	302	41	the	the	DET
admet-28	302	42	simulation	simulation	NOUN
admet-28	302	43	tert	tert	NOUN
admet-28	302	44	-	-	PUNCT
admet-28	302	45	bu	bu	PROPN
admet-28	302	46	group	group	NOUN
admet-28	302	47	appeared	appear	VERB
admet-28	302	48	close	close	ADV
admet-28	302	49	to	to	ADP
admet-28	302	50	leu234	leu234	ADJ
admet-28	302	51	and	and	CCONJ
admet-28	302	52	leu260	leu260	PROPN
admet-28	302	53	(	(	PUNCT
admet-28	302	54	3.5	3.5	PROPN
admet-28	302	55	å	å	PROPN
admet-28	302	56	)	)	PUNCT
admet-28	302	57	.	.	PUNCT
admet-28	303	1	figure	figure	VERB
admet-28	303	2	11	11	NUM
admet-28	303	3	.	.	PUNCT
admet-28	304	1	distances	distance	NOUN
admet-28	304	2	between	between	ADP
admet-28	304	3	:	:	PUNCT
admet-28	304	4	a	a	X
admet-28	304	5	)	)	PUNCT
admet-28	304	6	lys199	lys199	PROPN
admet-28	304	7	nξ	nξ	NOUN
admet-28	304	8	and	and	CCONJ
admet-28	304	9	comp	comp	NOUN
admet-28	304	10	.	.	PUNCT
admet-28	305	1	1	1	NUM
admet-28	305	2	carboxyl	carboxyl	NOUN
admet-28	305	3	c	c	NOUN
admet-28	305	4	of	of	ADP
admet-28	305	5	–	–	PUNCT
admet-28	305	6	ch(r)-coo	ch(r)-coo	NOUN
admet-28	305	7	–	–	PUNCT
admet-28	305	8	moiety	moiety	NOUN
admet-28	305	9	,	,	PUNCT
admet-28	305	10	b	b	NOUN
admet-28	305	11	)	)	PUNCT
admet-28	305	12	arg218	arg218	NOUN
admet-28	305	13	c	c	PROPN
admet-28	305	14	(	(	PUNCT
admet-28	305	15	-nhc(nh2	-nhc(nh2	PROPN
admet-28	305	16	)	)	PUNCT
admet-28	305	17	moiety	moiety	NOUN
admet-28	305	18	)	)	PUNCT
admet-28	305	19	and	and	CCONJ
admet-28	305	20	comp	comp	NOUN
admet-28	305	21	.	.	PUNCT
admet-28	305	22	1	1	NUM
admet-28	305	23	carboxyl	carboxyl	NOUN
admet-28	305	24	c	c	NOUN
admet-28	305	25	of	of	ADP
admet-28	305	26	–	–	PUNCT
admet-28	305	27	ch(r)-coo	ch(r)-coo	NOUN
admet-28	305	28	–	–	PUNCT
admet-28	305	29	moiety	moiety	NOUN
admet-28	305	30	,	,	PUNCT
admet-28	305	31	c	c	NOUN
admet-28	305	32	)	)	PUNCT
admet-28	305	33	arg257	arg257	PROPN
admet-28	305	34	c	c	NOUN
admet-28	305	35	(	(	PUNCT
admet-28	305	36	–	–	PUNCT
admet-28	305	37	nhc(nh2	nhc(nh2	NOUN
admet-28	305	38	)	)	PUNCT
admet-28	305	39	moiety	moiety	NOUN
admet-28	305	40	)	)	PUNCT
admet-28	305	41	and	and	CCONJ
admet-28	305	42	comp	comp	NOUN
admet-28	305	43	.	.	PUNCT
admet-28	305	44	1	1	NUM
admet-28	305	45	carboxyl	carboxyl	NOUN
admet-28	305	46	c	c	NOUN
admet-28	305	47	of	of	ADP
admet-28	305	48	–	–	PUNCT
admet-28	305	49	s	s	NOUN
admet-28	305	50	-	-	PUNCT
admet-28	305	51	ch2	ch2	NOUN
admet-28	305	52	-	-	PUNCT
admet-28	305	53	coo	coo	NOUN
admet-28	305	54	–	–	PUNCT
admet-28	305	55	moiety	moiety	NOUN
admet-28	305	56	,	,	PUNCT
admet-28	305	57	d	d	NOUN
admet-28	305	58	)	)	PUNCT
admet-28	305	59	lys195	lys195	ADJ
admet-28	305	60	nξ	nξ	NOUN
admet-28	305	61	and	and	CCONJ
admet-28	305	62	comp	comp	NOUN
admet-28	305	63	.	.	PUNCT
admet-28	306	1	1	1	NUM
admet-28	306	2	carboxyl	carboxyl	NOUN
admet-28	306	3	c	c	NOUN
admet-28	306	4	of	of	ADP
admet-28	306	5	-ch(r)-coo	-ch(r)-coo	PROPN
admet-28	306	6	–	–	PUNCT
admet-28	306	7	moiety	moiety	NOUN
admet-28	306	8	;	;	PUNCT
admet-28	306	9	all	all	PRON
admet-28	306	10	during	during	ADP
admet-28	306	11	3	3	NUM
admet-28	306	12	ns	ns	NUM
admet-28	306	13	of	of	ADP
admet-28	306	14	md	md	PROPN
admet-28	306	15	simulations	simulation	NOUN
admet-28	306	16	.	.	PUNCT
admet-28	307	1	cvijetić	cvijetić	PROPN
admet-28	307	2	et.al	et.al	PROPN
admet-28	307	3	.	.	PUNCT
admet-28	308	1	admet	admet	PROPN
admet-28	308	2	&	&	CCONJ
admet-28	308	3	dmpk	dmpk	PROPN
admet-28	308	4	2(2	2(2	NUM
admet-28	308	5	)	)	PUNCT
admet-28	308	6	(	(	PUNCT
admet-28	308	7	2014	2014	NUM
admet-28	308	8	)	)	PUNCT
admet-28	308	9	126	126	NUM
admet-28	308	10	-	-	SYM
admet-28	308	11	142	142	NUM
admet-28	308	12	138	138	NUM
admet-28	308	13	fluctuation	fluctuation	NOUN
admet-28	308	14	of	of	ADP
admet-28	308	15	the	the	DET
admet-28	308	16	4	4	NUM
admet-28	308	17	-	-	PUNCT
admet-28	308	18	tert	tert	NOUN
admet-28	308	19	-	-	PUNCT
admet-28	308	20	bu	bu	ADP
admet-28	308	21	-	-	PUNCT
admet-28	308	22	ph	ph	ADJ
admet-28	308	23	moiety	moiety	NOUN
admet-28	308	24	is	be	AUX
admet-28	308	25	illustrated	illustrate	VERB
admet-28	308	26	by	by	ADP
admet-28	308	27	the	the	DET
admet-28	308	28	distance	distance	NOUN
admet-28	308	29	between	between	ADP
admet-28	308	30	centroids	centroid	NOUN
admet-28	308	31	defined	define	VERB
admet-28	308	32	on	on	ADP
admet-28	308	33	the	the	DET
admet-28	308	34	planes	plane	NOUN
admet-28	308	35	of	of	ADP
admet-28	308	36	trp214	trp214	ADJ
admet-28	308	37	phenyl	phenyl	NOUN
admet-28	308	38	ring	ring	NOUN
admet-28	308	39	and	and	CCONJ
admet-28	308	40	the	the	DET
admet-28	308	41	phenyl	phenyl	NOUN
admet-28	308	42	ring	ring	NOUN
admet-28	308	43	of	of	ADP
admet-28	308	44	comp	comp	NOUN
admet-28	308	45	.	.	PUNCT
admet-28	309	1	1	1	NUM
admet-28	309	2	,	,	PUNCT
admet-28	309	3	as	as	ADV
admet-28	309	4	well	well	ADV
admet-28	309	5	as	as	ADP
admet-28	309	6	by	by	ADP
admet-28	309	7	the	the	DET
admet-28	309	8	torsion	torsion	NOUN
admet-28	309	9	angles	angle	NOUN
admet-28	309	10	between	between	ADP
admet-28	309	11	those	those	DET
admet-28	309	12	two	two	NUM
admet-28	309	13	planes	plane	NOUN
admet-28	309	14	(	(	PUNCT
admet-28	309	15	figure	figure	NOUN
admet-28	309	16	12	12	NUM
admet-28	309	17	)	)	PUNCT
admet-28	309	18	.	.	PUNCT
admet-28	310	1	trp214	trp214	PROPN
admet-28	310	2	is	be	AUX
admet-28	310	3	chosen	choose	VERB
admet-28	310	4	because	because	SCONJ
admet-28	310	5	of	of	ADP
admet-28	310	6	its	its	PRON
admet-28	310	7	spatial	spatial	ADJ
admet-28	310	8	vicinity	vicinity	NOUN
admet-28	310	9	to	to	ADP
admet-28	310	10	4	4	NUM
admet-28	310	11	-	-	PUNCT
admet-28	310	12	tert	tert	NOUN
admet-28	310	13	-	-	PUNCT
admet-28	310	14	bu	bu	ADP
admet-28	310	15	-	-	PUNCT
admet-28	310	16	ph	ph	ADJ
admet-28	310	17	moiety	moiety	NOUN
admet-28	310	18	of	of	ADP
admet-28	310	19	the	the	DET
admet-28	310	20	compound	compound	NOUN
admet-28	310	21	,	,	PUNCT
admet-28	310	22	in	in	ADP
admet-28	310	23	docking	docking	NOUN
admet-28	310	24	solution	solution	NOUN
admet-28	310	25	used	use	VERB
admet-28	310	26	for	for	ADP
admet-28	310	27	md	md	PROPN
admet-28	310	28	simulation	simulation	PROPN
admet-28	310	29	.	.	PUNCT
admet-28	311	1	figure	figure	NOUN
admet-28	311	2	12	12	NUM
admet-28	311	3	.	.	PUNCT
admet-28	312	1	a	a	DET
admet-28	312	2	)	)	PUNCT
admet-28	312	3	distance	distance	NOUN
admet-28	312	4	between	between	ADP
admet-28	312	5	centroids	centroid	NOUN
admet-28	312	6	defined	define	VERB
admet-28	312	7	on	on	ADP
admet-28	312	8	trp214	trp214	ADJ
admet-28	312	9	phenyl	phenyl	NOUN
admet-28	312	10	ring	ring	NOUN
admet-28	312	11	and	and	CCONJ
admet-28	312	12	the	the	DET
admet-28	312	13	phenyl	phenyl	NOUN
admet-28	312	14	ring	ring	NOUN
admet-28	312	15	of	of	ADP
admet-28	312	16	comp	comp	NOUN
admet-28	312	17	.	.	PUNCT
admet-28	313	1	1	1	NUM
admet-28	313	2	,	,	PUNCT
admet-28	313	3	b	b	X
admet-28	313	4	)	)	PUNCT
admet-28	313	5	torsion	torsion	NOUN
admet-28	313	6	angle	angle	NOUN
admet-28	313	7	between	between	ADP
admet-28	313	8	planes	plane	NOUN
admet-28	313	9	defined	define	VERB
admet-28	313	10	on	on	ADP
admet-28	313	11	trp214	trp214	ADJ
admet-28	313	12	phenyl	phenyl	NOUN
admet-28	313	13	ring	ring	NOUN
admet-28	313	14	and	and	CCONJ
admet-28	313	15	the	the	DET
admet-28	313	16	phenyl	phenyl	NOUN
admet-28	313	17	ring	ring	NOUN
admet-28	313	18	of	of	ADP
admet-28	313	19	comp	comp	NOUN
admet-28	313	20	.	.	PUNCT
admet-28	314	1	1	1	NUM
admet-28	314	2	;	;	PUNCT
admet-28	314	3	both	both	PRON
admet-28	314	4	during	during	ADP
admet-28	314	5	3	3	NUM
admet-28	314	6	ns	ns	NUM
admet-28	314	7	of	of	ADP
admet-28	314	8	md	md	PROPN
admet-28	314	9	simulations	simulation	NOUN
admet-28	314	10	.	.	PUNCT
admet-28	315	1	along	along	ADP
admet-28	315	2	with	with	ADP
admet-28	315	3	docking	docking	NOUN
admet-28	315	4	and	and	CCONJ
admet-28	315	5	md	md	PROPN
admet-28	315	6	simulations	simulation	NOUN
admet-28	315	7	,	,	PUNCT
admet-28	315	8	we	we	PRON
admet-28	315	9	examined	examine	VERB
admet-28	315	10	hsa	hsa	PROPN
admet-28	315	11	structure	structure	NOUN
admet-28	315	12	by	by	ADP
admet-28	315	13	grid	grid	NOUN
admet-28	315	14	software	software	NOUN
admet-28	315	15	.	.	PUNCT
admet-28	316	1	interaction	interaction	NOUN
admet-28	316	2	energies	energy	NOUN
admet-28	316	3	of	of	ADP
admet-28	316	4	the	the	DET
admet-28	316	5	grid	grid	NOUN
admet-28	316	6	coo	coo	NOUN
admet-28	316	7	–	–	PUNCT
admet-28	316	8	probe	probe	NOUN
admet-28	316	9	(	(	PUNCT
admet-28	316	10	deprotonated	deprotonated	ADJ
admet-28	316	11	carboxyl	carboxyl	NOUN
admet-28	316	12	group	group	NOUN
admet-28	316	13	)	)	PUNCT
admet-28	316	14	with	with	ADP
admet-28	316	15	the	the	DET
admet-28	316	16	whole	whole	ADJ
admet-28	316	17	structure	structure	NOUN
admet-28	316	18	of	of	ADP
admet-28	316	19	hsa	hsa	PROPN
admet-28	316	20	were	be	AUX
admet-28	316	21	calculated	calculate	VERB
admet-28	316	22	.	.	PUNCT
admet-28	317	1	overall	overall	ADJ
admet-28	317	2	energy	energy	NOUN
admet-28	317	3	minimum	minimum	NOUN
admet-28	317	4	(	(	PUNCT
admet-28	317	5	–	–	PUNCT
admet-28	317	6	25	25	NUM
admet-28	317	7	kcal	kcal	NOUN
admet-28	317	8	/	/	SYM
admet-28	317	9	mol	mol	NOUN
admet-28	317	10	)	)	PUNCT
admet-28	317	11	of	of	ADP
admet-28	317	12	the	the	DET
admet-28	317	13	probe	probe	NOUN
admet-28	317	14	interaction	interaction	NOUN
admet-28	317	15	energy	energy	NOUN
admet-28	317	16	was	be	AUX
admet-28	317	17	found	find	VERB
admet-28	317	18	bellow	bellow	ADJ
admet-28	317	19	sudlow	sudlow	ADJ
admet-28	317	20	site	site	NOUN
admet-28	317	21	ii	ii	PROPN
admet-28	317	22	(	(	PUNCT
admet-28	317	23	figure	figure	NOUN
admet-28	317	24	13	13	NUM
admet-28	317	25	)	)	PUNCT
admet-28	317	26	i.e.	i.e.	X
admet-28	317	27	relatively	relatively	ADV
admet-28	317	28	far	far	ADV
admet-28	317	29	from	from	ADP
admet-28	317	30	the	the	DET
admet-28	317	31	part	part	NOUN
admet-28	317	32	of	of	ADP
admet-28	317	33	hsa	hsa	PROPN
admet-28	317	34	where	where	SCONJ
admet-28	317	35	comp	comp	NOUN
admet-28	317	36	.	.	PUNCT
admet-28	317	37	1	1	NUM
admet-28	317	38	is	be	AUX
admet-28	317	39	bound	bind	VERB
admet-28	317	40	(	(	PUNCT
admet-28	317	41	as	as	SCONJ
admet-28	317	42	concluded	conclude	VERB
admet-28	317	43	from	from	ADP
admet-28	317	44	experiments	experiment	NOUN
admet-28	317	45	and	and	CCONJ
admet-28	317	46	modeling	modeling	NOUN
admet-28	317	47	)	)	PUNCT
admet-28	317	48	.	.	PUNCT
admet-28	318	1	most	most	ADV
admet-28	318	2	probably	probably	ADV
admet-28	318	3	,	,	PUNCT
admet-28	318	4	compound	compound	NOUN
admet-28	318	5	is	be	AUX
admet-28	318	6	too	too	ADV
admet-28	318	7	bulky	bulky	ADJ
admet-28	318	8	to	to	PART
admet-28	318	9	be	be	AUX
admet-28	318	10	accommodated	accommodate	VERB
admet-28	318	11	in	in	ADP
admet-28	318	12	sudlow	sudlow	PROPN
admet-28	318	13	site	site	PROPN
admet-28	318	14	ii	ii	PROPN
admet-28	318	15	.	.	PUNCT
admet-28	319	1	a	a	DET
admet-28	319	2	)	)	PUNCT
admet-28	319	3	b	b	NOUN
admet-28	319	4	)	)	PUNCT
admet-28	319	5	figure	figure	NOUN
admet-28	319	6	13	13	NUM
admet-28	319	7	.	.	PUNCT
admet-28	320	1	a	a	DET
admet-28	320	2	)	)	PUNCT
admet-28	320	3	position	position	NOUN
admet-28	320	4	of	of	ADP
admet-28	320	5	grid	grid	NOUN
admet-28	320	6	coo	coo	NOUN
admet-28	320	7	–	–	PUNCT
admet-28	320	8	probe	probe	NOUN
admet-28	320	9	global	global	ADJ
admet-28	320	10	minimum	minimum	NOUN
admet-28	320	11	(	(	PUNCT
admet-28	320	12	–	–	PUNCT
admet-28	320	13	25	25	NUM
admet-28	320	14	kcal	kcal	NOUN
admet-28	320	15	/	/	SYM
admet-28	320	16	mol	mol	PROPN
admet-28	320	17	,	,	PUNCT
admet-28	320	18	red	red	ADJ
admet-28	320	19	spheres	sphere	NOUN
admet-28	320	20	)	)	PUNCT
admet-28	320	21	bellow	bellow	ADJ
admet-28	320	22	sudlow	sudlow	PROPN
admet-28	320	23	site	site	PROPN
admet-28	320	24	ii	ii	PROPN
admet-28	320	25	.	.	PUNCT
admet-28	321	1	residues	residue	NOUN
admet-28	321	2	of	of	ADP
admet-28	321	3	the	the	DET
admet-28	321	4	sudlow	sudlow	PROPN
admet-28	321	5	site	site	PROPN
admet-28	321	6	ii	ii	PROPN
admet-28	321	7	,	,	PUNCT
admet-28	321	8	arg410	arg410	PROPN
admet-28	321	9	,	,	PUNCT
admet-28	321	10	tyr411	tyr411	PROPN
admet-28	321	11	,	,	PUNCT
admet-28	321	12	leu453	leu453	NOUN
admet-28	321	13	,	,	PUNCT
admet-28	321	14	and	and	CCONJ
admet-28	321	15	ser489	ser489	NOUN
admet-28	321	16	,	,	PUNCT
admet-28	321	17	are	be	AUX
admet-28	321	18	marked	mark	VERB
admet-28	321	19	.	.	PUNCT
admet-28	322	1	b	b	X
admet-28	322	2	)	)	PUNCT
admet-28	322	3	position	position	NOUN
admet-28	322	4	of	of	ADP
admet-28	322	5	water	water	NOUN
admet-28	322	6	grid	grid	NOUN
admet-28	322	7	probe	probe	NOUN
admet-28	322	8	global	global	ADJ
admet-28	322	9	minimum	minimum	NOUN
admet-28	322	10	(	(	PUNCT
admet-28	322	11	–	–	PUNCT
admet-28	322	12	11.4	11.4	NUM
admet-28	322	13	kcal	kcal	NOUN
admet-28	322	14	/	/	SYM
admet-28	322	15	mol	mol	PROPN
admet-28	322	16	,	,	PUNCT
admet-28	322	17	light	light	ADJ
admet-28	322	18	blue	blue	ADJ
admet-28	322	19	sphere	sphere	NOUN
admet-28	322	20	)	)	PUNCT
admet-28	322	21	in	in	ADP
admet-28	322	22	the	the	DET
admet-28	322	23	frame	frame	NOUN
admet-28	322	24	of	of	ADP
admet-28	322	25	the	the	DET
admet-28	322	26	sudlow	sudlow	PROPN
admet-28	322	27	site	site	PROPN
admet-28	322	28	ii	ii	PROPN
admet-28	322	29	.	.	PROPN
admet-28	322	30	3.4	3.4	NUM
admet-28	322	31	.	.	PUNCT
admet-28	322	32	energy	energy	NOUN
admet-28	322	33	transfer	transfer	NOUN
admet-28	322	34	fluorescence	fluorescence	NOUN
admet-28	322	35	energy	energy	NOUN
admet-28	322	36	transfer	transfer	NOUN
admet-28	322	37	can	can	AUX
admet-28	322	38	occur	occur	VERB
admet-28	322	39	between	between	ADP
admet-28	322	40	the	the	DET
admet-28	322	41	donor	donor	NOUN
admet-28	322	42	molecule	molecule	NOUN
admet-28	322	43	in	in	ADP
admet-28	322	44	excited	excited	ADJ
admet-28	322	45	state	state	NOUN
admet-28	322	46	(	(	PUNCT
admet-28	322	47	trp214	trp214	PROPN
admet-28	322	48	from	from	ADP
admet-28	322	49	hsa	hsa	PROPN
admet-28	322	50	)	)	PUNCT
admet-28	322	51	and	and	CCONJ
admet-28	322	52	the	the	DET
admet-28	322	53	acceptor	acceptor	NOUN
admet-28	322	54	molecule	molecule	NOUN
admet-28	322	55	in	in	ADP
admet-28	322	56	the	the	DET
admet-28	322	57	ground	ground	NOUN
admet-28	322	58	state	state	NOUN
admet-28	322	59	(	(	PUNCT
admet-28	322	60	comp	comp	NOUN
admet-28	322	61	.	.	PUNCT
admet-28	323	1	1	1	NUM
admet-28	323	2	)	)	PUNCT
admet-28	323	3	.	.	PUNCT
admet-28	324	1	distance	distance	NOUN
admet-28	324	2	between	between	ADP
admet-28	324	3	the	the	DET
admet-28	324	4	donor	donor	NOUN
admet-28	324	5	and	and	CCONJ
admet-28	324	6	the	the	DET
admet-28	324	7	acceptor	acceptor	NOUN
admet-28	324	8	can	can	AUX
admet-28	324	9	be	be	AUX
admet-28	324	10	calculated	calculate	VERB
admet-28	324	11	according	accord	VERB
admet-28	324	12	to	to	ADP
admet-28	324	13	the	the	DET
admet-28	324	14	förster	förster	NOUN
admet-28	324	15	’s	’s	PART
admet-28	324	16	theory	theory	NOUN
admet-28	324	17	of	of	ADP
admet-28	324	18	non	non	ADJ
admet-28	324	19	-	-	ADJ
admet-28	324	20	radiation	radiation	ADJ
admet-28	324	21	energy	energy	NOUN
admet-28	324	22	transfer	transfer	NOUN
admet-28	324	23	[	[	X
admet-28	324	24	40	40	NUM
admet-28	324	25	]	]	PUNCT
admet-28	324	26	.	.	PUNCT
admet-28	325	1	the	the	DET
admet-28	325	2	energy	energy	NOUN
admet-28	325	3	transfer	transfer	NOUN
admet-28	325	4	depends	depend	VERB
admet-28	325	5	upon	upon	SCONJ
admet-28	325	6	the	the	DET
admet-28	325	7	distance	distance	NOUN
admet-28	325	8	between	between	ADP
admet-28	325	9	donor	donor	NOUN
admet-28	325	10	and	and	CCONJ
admet-28	325	11	acceptor	acceptor	NOUN
admet-28	325	12	,	,	PUNCT
admet-28	325	13	relative	relative	ADJ
admet-28	325	14	orientation	orientation	NOUN
admet-28	325	15	of	of	ADP
admet-28	325	16	their	their	PRON
admet-28	325	17	dipoles	dipole	NOUN
admet-28	325	18	,	,	PUNCT
admet-28	325	19	the	the	DET
admet-28	325	20	extent	extent	NOUN
admet-28	325	21	to	to	PART
admet-28	325	22	which	which	PRON
admet-28	325	23	donor	donor	NOUN
admet-28	325	24	emission	emission	NOUN
admet-28	325	25	and	and	CCONJ
admet-28	325	26	acceptor	acceptor	NOUN
admet-28	325	27	absorption	absorption	NOUN
admet-28	325	28	spectra	spectra	ADJ
admet-28	325	29	overlap	overlap	NOUN
admet-28	325	30	,	,	PUNCT
admet-28	325	31	and	and	CCONJ
admet-28	325	32	a	a	DET
admet-28	325	33	donor	donor	NOUN
admet-28	325	34	quantum	quantum	NOUN
admet-28	325	35	yield	yield	NOUN
admet-28	325	36	.	.	PUNCT
admet-28	326	1	the	the	DET
admet-28	326	2	energy	energy	NOUN
admet-28	326	3	admet	admet	PROPN
admet-28	326	4	&	&	CCONJ
admet-28	326	5	dmpk	dmpk	PROPN
admet-28	326	6	2(2	2(2	NUM
admet-28	326	7	)	)	PUNCT
admet-28	326	8	(	(	PUNCT
admet-28	326	9	2014	2014	NUM
admet-28	326	10	)	)	PUNCT
admet-28	326	11	126	126	NUM
admet-28	326	12	-	-	SYM
admet-28	326	13	142	142	NUM
admet-28	326	14	hsa	hsa	PROPN
admet-28	326	15	binding	bind	VERB
admet-28	326	16	doi	doi	NOUN
admet-28	326	17	:	:	PUNCT
admet-28	326	18	10.5599	10.5599	NUM
admet-28	326	19	/	/	SYM
admet-28	326	20	admet.2.2.28	admet.2.2.28	PROPN
admet-28	326	21	139	139	NUM
admet-28	326	22	transfer	transfer	NOUN
admet-28	326	23	efficiency	efficiency	NOUN
admet-28	326	24	,	,	PUNCT
admet-28	326	25	e	e	NOUN
admet-28	326	26	,	,	PUNCT
admet-28	326	27	represents	represent	VERB
admet-28	326	28	the	the	DET
admet-28	326	29	fraction	fraction	NOUN
admet-28	326	30	of	of	ADP
admet-28	326	31	photons	photon	NOUN
admet-28	326	32	absorbed	absorb	VERB
admet-28	326	33	by	by	ADP
admet-28	326	34	donor	donor	NOUN
admet-28	326	35	and	and	CCONJ
admet-28	326	36	transferred	transfer	VERB
admet-28	326	37	to	to	ADP
admet-28	326	38	the	the	DET
admet-28	326	39	acceptor	acceptor	NOUN
admet-28	326	40	[	[	X
admet-28	326	41	19	19	NUM
admet-28	326	42	]	]	PUNCT
admet-28	326	43	,	,	PUNCT
admet-28	326	44	and	and	CCONJ
admet-28	326	45	can	can	AUX
admet-28	326	46	be	be	AUX
admet-28	326	47	calculated	calculate	VERB
admet-28	326	48	according	accord	VERB
admet-28	326	49	to	to	ADP
admet-28	326	50	the	the	DET
admet-28	326	51	following	follow	VERB
admet-28	326	52	equation	equation	NOUN
admet-28	326	53	(	(	PUNCT
admet-28	326	54	6	6	NUM
admet-28	326	55	):	):	PUNCT
admet-28	326	56	-	-	PROPN
admet-28	326	57			PROPN
admet-28	326	58			ADJ
admet-28	326	59	6	6	NUM
admet-28	326	60	0	0	NUM
admet-28	326	61	6	6	NUM
admet-28	326	62	6	6	NUM
admet-28	326	63	0	0	NUM
admet-28	326	64	0	0	NUM
admet-28	326	65	1	1	NUM
admet-28	326	66	rf	rf	NOUN
admet-28	326	67	e	e	NOUN
admet-28	326	68	f	f	NOUN
admet-28	326	69	r	r	NOUN
admet-28	326	70	r	r	NOUN
admet-28	326	71	(	(	PUNCT
admet-28	326	72	6	6	NUM
admet-28	326	73	)	)	PUNCT
admet-28	326	74	where	where	SCONJ
admet-28	326	75	r	r	NOUN
admet-28	326	76	represents	represent	VERB
admet-28	326	77	the	the	DET
admet-28	326	78	distance	distance	NOUN
admet-28	326	79	between	between	ADP
admet-28	326	80	donor	donor	NOUN
admet-28	326	81	and	and	CCONJ
admet-28	326	82	acceptor	acceptor	NOUN
admet-28	326	83	;	;	PUNCT
admet-28	326	84	r0	r0	NOUN
admet-28	326	85	is	be	AUX
admet-28	326	86	called	call	VERB
admet-28	326	87	the	the	DET
admet-28	326	88	förster	förster	NOUN
admet-28	326	89	’s	’s	PART
admet-28	326	90	distance	distance	NOUN
admet-28	326	91	,	,	PUNCT
admet-28	326	92	and	and	CCONJ
admet-28	326	93	represents	represent	VERB
admet-28	326	94	the	the	DET
admet-28	326	95	distance	distance	NOUN
admet-28	326	96	at	at	ADP
admet-28	326	97	which	which	PRON
admet-28	326	98	energy	energy	NOUN
admet-28	326	99	transfer	transfer	NOUN
admet-28	326	100	is	be	AUX
admet-28	326	101	50	50	NUM
admet-28	326	102	%	%	NOUN
admet-28	326	103	efficient	efficient	ADJ
admet-28	326	104	(	(	PUNCT
admet-28	326	105	it	it	PRON
admet-28	326	106	is	be	AUX
admet-28	326	107	typically	typically	ADV
admet-28	326	108	in	in	ADP
admet-28	326	109	the	the	DET
admet-28	326	110	range	range	NOUN
admet-28	326	111	of	of	ADP
admet-28	326	112	20	20	NUM
admet-28	326	113	to	to	PART
admet-28	326	114	60	60	NUM
admet-28	326	115	å	å	NOUN
admet-28	326	116	for	for	ADP
admet-28	326	117	protein	protein	NOUN
admet-28	326	118	-	-	PUNCT
admet-28	326	119	protein	protein	NOUN
admet-28	326	120	interactions	interaction	NOUN
admet-28	326	121	)	)	PUNCT
admet-28	326	122	.	.	PUNCT
admet-28	327	1	r0	r0	NOUN
admet-28	327	2	is	be	AUX
admet-28	327	3	calculated	calculate	VERB
admet-28	327	4	according	accord	VERB
admet-28	327	5	to	to	ADP
admet-28	327	6	equation	equation	NOUN
admet-28	327	7	(	(	PUNCT
admet-28	327	8	7	7	NUM
admet-28	327	9	):	):	PUNCT
admet-28	327	10	(	(	PUNCT
admet-28	327	11	7	7	X
admet-28	327	12	)	)	PUNCT
admet-28	327	13	where	where	SCONJ
admet-28	327	14	κ2	κ2	NOUN
admet-28	327	15	stands	stand	VERB
admet-28	327	16	for	for	ADP
admet-28	327	17	the	the	DET
admet-28	327	18	spatial	spatial	ADJ
admet-28	327	19	orientation	orientation	NOUN
admet-28	327	20	factor	factor	NOUN
admet-28	327	21	of	of	ADP
admet-28	327	22	the	the	DET
admet-28	327	23	dipole	dipole	NOUN
admet-28	327	24	,	,	PUNCT
admet-28	327	25	n	n	PRON
admet-28	327	26	is	be	AUX
admet-28	327	27	a	a	DET
admet-28	327	28	refractive	refractive	ADJ
admet-28	327	29	index	index	NOUN
admet-28	327	30	of	of	ADP
admet-28	327	31	the	the	DET
admet-28	327	32	medium	medium	NOUN
admet-28	327	33	,	,	PUNCT
admet-28	327	34	φ	φ	PROPN
admet-28	327	35	is	be	AUX
admet-28	327	36	the	the	DET
admet-28	327	37	donor	donor	NOUN
admet-28	327	38	fluorescence	fluorescence	NOUN
admet-28	327	39	quantum	quantum	NOUN
admet-28	327	40	yield	yield	NOUN
admet-28	327	41	,	,	PUNCT
admet-28	327	42	and	and	CCONJ
admet-28	327	43	j	j	PROPN
admet-28	327	44	is	be	AUX
admet-28	327	45	the	the	DET
admet-28	327	46	overlap	overlap	NOUN
admet-28	327	47	integral	integral	ADJ
admet-28	327	48	of	of	ADP
admet-28	327	49	the	the	DET
admet-28	327	50	donor	donor	NOUN
admet-28	327	51	emission	emission	NOUN
admet-28	327	52	and	and	CCONJ
admet-28	327	53	the	the	DET
admet-28	327	54	acceptor	acceptor	NOUN
admet-28	327	55	absorption	absorption	NOUN
admet-28	327	56	spectra	spectra	NOUN
admet-28	327	57	(	(	PUNCT
admet-28	327	58	figure	figure	NOUN
admet-28	327	59	14	14	NUM
admet-28	327	60	)	)	PUNCT
admet-28	327	61	.	.	PUNCT
admet-28	328	1	the	the	DET
admet-28	328	2	overlap	overlap	NOUN
admet-28	328	3	integral	integral	ADJ
admet-28	328	4	,	,	PUNCT
admet-28	328	5	j	j	PROPN
admet-28	328	6	,	,	PUNCT
admet-28	328	7	can	can	AUX
admet-28	328	8	be	be	AUX
admet-28	328	9	calculated	calculate	VERB
admet-28	328	10	according	accord	VERB
admet-28	328	11	to	to	ADP
admet-28	328	12	equation	equation	NOUN
admet-28	328	13	(	(	PUNCT
admet-28	328	14	8)	8)	NUM
admet-28	328	15	:	:	PUNCT
admet-28	328	16			NOUN
admet-28	328	17			NOUN
admet-28	328	18			NUM
admet-28	328	19			NOUN
admet-28	328	20			PROPN
admet-28	329	1	4	4	NUM
admet-28	329	2	0	0	NUM
admet-28	329	3	0	0	NUM
admet-28	330	1	(	(	PUNCT
admet-28	330	2	λ)ε(λ)λ	λ)ε(λ)λ	DET
admet-28	330	3	dλ	dλ	NOUN
admet-28	330	4	(	(	PUNCT
admet-28	331	1	λ)dλ	λ)dλ	PROPN
admet-28	331	2	f	f	PROPN
admet-28	331	3	j	j	PROPN
admet-28	331	4	f	f	PROPN
admet-28	331	5	(	(	PUNCT
admet-28	331	6	8)	8)	NUM
admet-28	331	7	where	where	SCONJ
admet-28	331	8	f(λ	f(λ	NOUN
admet-28	331	9	)	)	PUNCT
admet-28	331	10	represents	represents	AUX
admet-28	331	11	normalized	normalize	VERB
admet-28	331	12	fluorescence	fluorescence	ADJ
admet-28	331	13	intensity	intensity	NOUN
admet-28	331	14	at	at	ADP
admet-28	331	15	wavelength	wavelength	NOUN
admet-28	331	16	λ	λ	PROPN
admet-28	331	17	,	,	PUNCT
admet-28	331	18	ε(λ	ε(λ	PROPN
admet-28	331	19	)	)	PUNCT
admet-28	331	20	is	be	AUX
admet-28	331	21	molar	molar	ADJ
admet-28	331	22	absorption	absorption	NOUN
admet-28	331	23	coefficient	coefficient	NOUN
admet-28	331	24	of	of	ADP
admet-28	331	25	the	the	DET
admet-28	331	26	acceptor	acceptor	NOUN
admet-28	331	27	at	at	ADP
admet-28	331	28	wavelength	wavelength	NOUN
admet-28	331	29	λ	λ	PROPN
admet-28	331	30	.	.	PROPN
admet-28	331	31	in	in	ADP
admet-28	331	32	the	the	DET
admet-28	331	33	present	present	ADJ
admet-28	331	34	study	study	NOUN
admet-28	331	35	,	,	PUNCT
admet-28	331	36	we	we	PRON
admet-28	331	37	have	have	AUX
admet-28	331	38	used	use	VERB
admet-28	331	39	k2	k2	NOUN
admet-28	331	40	=	=	SYM
admet-28	331	41	2/3	2/3	NUM
admet-28	331	42	(	(	PUNCT
admet-28	331	43	for	for	ADP
admet-28	331	44	randomly	randomly	ADV
admet-28	331	45	oriented	orient	VERB
admet-28	331	46	dipoles	dipole	NOUN
admet-28	331	47	)	)	PUNCT
admet-28	331	48	,	,	PUNCT
admet-28	331	49	n	n	NOUN
admet-28	331	50	=	=	NUM
admet-28	331	51	1.336	1.336	NUM
admet-28	331	52	,	,	PUNCT
admet-28	331	53	and	and	CCONJ
admet-28	331	54	φ	φ	NUM
admet-28	331	55	=	=	SYM
admet-28	331	56	0.118	0.118	NUM
admet-28	332	1	[	[	X
admet-28	332	2	41	41	NUM
admet-28	332	3	]	]	PUNCT
admet-28	332	4	.	.	PUNCT
admet-28	333	1	figure	figure	NOUN
admet-28	333	2	14	14	NUM
admet-28	333	3	.	.	PUNCT
admet-28	334	1	compound	compound	NOUN
admet-28	334	2	1	1	NUM
admet-28	334	3	absorption	absorption	NOUN
admet-28	334	4	(	(	PUNCT
admet-28	334	5	–	–	PUNCT
admet-28	334	6	–	–	PUNCT
admet-28	334	7	–	–	PUNCT
admet-28	334	8	)	)	PUNCT
admet-28	334	9	and	and	CCONJ
admet-28	334	10	hsa	hsa	PROPN
admet-28	334	11	(	(	PUNCT
admet-28	334	12	–	–	PUNCT
admet-28	334	13	–	–	PUNCT
admet-28	334	14	)	)	PUNCT
admet-28	334	15	emission	emission	NOUN
admet-28	334	16	spectra	spectra	ADJ
admet-28	334	17	overlap	overlap	NOUN
admet-28	334	18	.	.	PUNCT
admet-28	335	1	using	use	VERB
admet-28	335	2	previous	previous	ADJ
admet-28	335	3	equations	equation	NOUN
admet-28	335	4	,	,	PUNCT
admet-28	335	5	we	we	PRON
admet-28	335	6	have	have	AUX
admet-28	335	7	calculated	calculate	VERB
admet-28	335	8	the	the	DET
admet-28	335	9	overlap	overlap	NOUN
admet-28	335	10	integral	integral	ADJ
admet-28	335	11	(	(	PUNCT
admet-28	335	12	j	j	NOUN
admet-28	335	13	=	=	SYM
admet-28	335	14	3.26	3.26	NUM
admet-28	335	15			NOUN
admet-28	335	16	10	10	NUM
admet-28	335	17	-	-	SYM
admet-28	335	18	15	15	NUM
admet-28	335	19	m-1cm3	m-1cm3	NOUN
admet-28	335	20	)	)	PUNCT
admet-28	335	21	,	,	PUNCT
admet-28	335	22	the	the	DET
admet-28	335	23	energy	energy	NOUN
admet-28	335	24	transfer	transfer	NOUN
admet-28	335	25	efficiency	efficiency	NOUN
admet-28	335	26	(	(	PUNCT
admet-28	335	27	e	e	NOUN
admet-28	335	28	=	=	NOUN
admet-28	335	29	0.058	0.058	NUM
admet-28	335	30	)	)	PUNCT
admet-28	335	31	,	,	PUNCT
admet-28	335	32	the	the	DET
admet-28	335	33	förster	förster	NOUN
admet-28	335	34	’s	’s	PART
admet-28	335	35	distance	distance	NOUN
admet-28	335	36	(	(	PUNCT
admet-28	335	37	r0	r0	NOUN
admet-28	335	38	=	=	NOUN
admet-28	335	39	21.6	21.6	NUM
admet-28	335	40	å	å	NOUN
admet-28	335	41	)	)	PUNCT
admet-28	335	42	,	,	PUNCT
admet-28	335	43	and	and	CCONJ
admet-28	335	44	the	the	DET
admet-28	335	45	distance	distance	NOUN
admet-28	335	46	between	between	ADP
admet-28	335	47	donor	donor	NOUN
admet-28	335	48	(	(	PUNCT
admet-28	335	49	trp214	trp214	PROPN
admet-28	335	50	in	in	ADP
admet-28	335	51	hsa	hsa	PROPN
admet-28	335	52	)	)	PUNCT
admet-28	335	53	and	and	CCONJ
admet-28	335	54	acceptor	acceptor	NOUN
admet-28	335	55	(	(	PUNCT
admet-28	335	56	comp	comp	NOUN
admet-28	335	57	.	.	PUNCT
admet-28	336	1	1	1	NUM
admet-28	336	2	)	)	PUNCT
admet-28	336	3	(	(	PUNCT
admet-28	336	4	r	r	NOUN
admet-28	336	5	=	=	SYM
admet-28	336	6	36.6	36.6	NUM
admet-28	336	7	å	å	NOUN
admet-28	336	8	)	)	PUNCT
admet-28	336	9	.	.	PUNCT
admet-28	337	1	although	although	SCONJ
admet-28	337	2	such	such	ADJ
admet-28	337	3	results	result	NOUN
admet-28	337	4	are	be	AUX
admet-28	337	5	comparable	comparable	ADJ
admet-28	337	6	with	with	ADP
admet-28	337	7	many	many	ADJ
admet-28	337	8	literature	literature	NOUN
admet-28	337	9	reports	report	NOUN
admet-28	337	10	on	on	ADP
admet-28	337	11	the	the	DET
admet-28	337	12	fluorescence	fluorescence	NOUN
admet-28	337	13	energy	energy	NOUN
admet-28	337	14	transfer	transfer	NOUN
admet-28	337	15	between	between	ADP
admet-28	337	16	hsa	hsa	PROPN
admet-28	337	17	and	and	CCONJ
admet-28	337	18	ligand	ligand	PROPN
admet-28	337	19	bound	bind	VERB
admet-28	337	20	to	to	ADP
admet-28	337	21	it	it	PRON
admet-28	337	22	,	,	PUNCT
admet-28	337	23	obtained	obtain	VERB
admet-28	337	24	distance	distance	NOUN
admet-28	337	25	between	between	ADP
admet-28	337	26	the	the	DET
admet-28	337	27	donor	donor	NOUN
admet-28	337	28	and	and	CCONJ
admet-28	337	29	the	the	DET
admet-28	337	30	acceptor	acceptor	NOUN
admet-28	337	31	(	(	PUNCT
admet-28	337	32	36.6	36.6	NUM
admet-28	337	33	å	å	NOUN
admet-28	337	34	)	)	PUNCT
admet-28	337	35	is	be	AUX
admet-28	337	36	inadequately	inadequately	ADV
admet-28	337	37	high	high	ADJ
admet-28	337	38	.	.	PUNCT
admet-28	338	1	experimental	experimental	ADJ
admet-28	338	2	fluorescence	fluorescence	PROPN
admet-28	338	3	data	datum	NOUN
admet-28	338	4	showed	show	VERB
admet-28	338	5	that	that	SCONJ
admet-28	338	6	comp	comp	NOUN
admet-28	338	7	.	.	PUNCT
admet-28	339	1	1	1	NUM
admet-28	339	2	is	be	AUX
admet-28	339	3	bound	bind	VERB
admet-28	339	4	to	to	PART
admet-28	339	5	sudlow	sudlow	VERB
admet-28	339	6	site	site	NOUN
admet-28	339	7	i.	i.	PROPN
admet-28	339	8	docking	docking	NOUN
admet-28	339	9	study	study	NOUN
admet-28	339	10	also	also	ADV
admet-28	339	11	found	find	VERB
admet-28	339	12	comp	comp	NOUN
admet-28	339	13	.	.	PUNCT
admet-28	340	1	1	1	NUM
admet-28	340	2	in	in	ADP
admet-28	340	3	sudlow	sudlow	ADJ
admet-28	340	4	site	site	NOUN
admet-28	340	5	i	i	PROPN
admet-28	340	6	,	,	PUNCT
admet-28	341	1	and	and	CCONJ
admet-28	341	2	revealed	reveal	VERB
admet-28	341	3	cvijetić	cvijetić	PROPN
admet-28	341	4	et.al	et.al	PROPN
admet-28	341	5	.	.	PUNCT
admet-28	342	1	admet	admet	PROPN
admet-28	342	2	&	&	CCONJ
admet-28	342	3	dmpk	dmpk	PROPN
admet-28	342	4	2(2	2(2	NUM
admet-28	342	5	)	)	PUNCT
admet-28	342	6	(	(	PUNCT
admet-28	342	7	2014	2014	NUM
admet-28	342	8	)	)	PUNCT
admet-28	342	9	126	126	NUM
admet-28	342	10	-	-	SYM
admet-28	342	11	142	142	NUM
admet-28	342	12	140	140	NUM
admet-28	342	13	distance	distance	NOUN
admet-28	342	14	of	of	ADP
admet-28	342	15	8.5	8.5	NUM
admet-28	342	16	å	å	NOUN
admet-28	342	17	between	between	ADP
admet-28	342	18	centroids	centroid	NOUN
admet-28	342	19	defined	define	VERB
admet-28	342	20	on	on	ADP
admet-28	342	21	aromatic	aromatic	ADJ
admet-28	342	22	moiety	moiety	NOUN
admet-28	342	23	of	of	ADP
admet-28	342	24	trp214	trp214	ADJ
admet-28	342	25	and	and	CCONJ
admet-28	342	26	aroyl	aroyl	ADJ
admet-28	342	27	moiety	moiety	NOUN
admet-28	342	28	of	of	ADP
admet-28	342	29	comp	comp	NOUN
admet-28	342	30	.	.	PUNCT
admet-28	343	1	1	1	X
admet-28	343	2	.	.	X
admet-28	344	1	the	the	DET
admet-28	344	2	attention	attention	NOUN
admet-28	344	3	was	be	AUX
admet-28	344	4	paid	pay	VERB
admet-28	344	5	to	to	ADP
admet-28	344	6	κ2	κ2	PROPN
admet-28	344	7	term	term	NOUN
admet-28	344	8	(	(	PUNCT
admet-28	344	9	7	7	NUM
admet-28	344	10	)	)	PUNCT
admet-28	344	11	,	,	PUNCT
admet-28	344	12	which	which	PRON
admet-28	344	13	stands	stand	VERB
admet-28	344	14	for	for	ADP
admet-28	344	15	spatial	spatial	ADJ
admet-28	344	16	orientation	orientation	NOUN
admet-28	344	17	factor	factor	NOUN
admet-28	344	18	of	of	ADP
admet-28	344	19	the	the	DET
admet-28	344	20	dipoles	dipole	NOUN
admet-28	344	21	.	.	PUNCT
admet-28	345	1	κ2	κ2	NOUN
admet-28	345	2	accounts	account	VERB
admet-28	345	3	for	for	ADP
admet-28	345	4	the	the	DET
admet-28	345	5	angle	angle	NOUN
admet-28	345	6	between	between	ADP
admet-28	345	7	donor	donor	NOUN
admet-28	345	8	and	and	CCONJ
admet-28	345	9	acceptor	acceptor	NOUN
admet-28	345	10	transition	transition	NOUN
admet-28	345	11	dipole	dipole	NOUN
admet-28	345	12	moments	moment	NOUN
admet-28	345	13	,	,	PUNCT
admet-28	345	14	and	and	CCONJ
admet-28	345	15	the	the	DET
admet-28	345	16	angle	angle	NOUN
admet-28	345	17	between	between	ADP
admet-28	345	18	donor	donor	NOUN
admet-28	345	19	/	/	SYM
admet-28	345	20	acceptor	acceptor	NOUN
admet-28	345	21	transition	transition	NOUN
admet-28	345	22	dipole	dipole	NOUN
admet-28	345	23	moments	moment	NOUN
admet-28	345	24	and	and	CCONJ
admet-28	345	25	the	the	DET
admet-28	345	26	vector	vector	NOUN
admet-28	345	27	joining	join	VERB
admet-28	345	28	those	those	DET
admet-28	345	29	two	two	NUM
admet-28	345	30	dipoles	dipole	NOUN
admet-28	345	31	.	.	PUNCT
admet-28	346	1	if	if	SCONJ
admet-28	346	2	all	all	PRON
admet-28	346	3	of	of	ADP
admet-28	346	4	these	these	DET
admet-28	346	5	angles	angle	NOUN
admet-28	346	6	are	be	AUX
admet-28	346	7	0	0	NUM
admet-28	346	8	°	°	NOUN
admet-28	346	9	,	,	PUNCT
admet-28	346	10	κ2	κ2	NOUN
admet-28	346	11	=	=	SYM
admet-28	346	12	4	4	NUM
admet-28	346	13	;	;	PUNCT
admet-28	346	14	if	if	SCONJ
admet-28	346	15	all	all	DET
admet-28	346	16	angles	angle	NOUN
admet-28	346	17	are	be	AUX
admet-28	346	18	90	90	NUM
admet-28	346	19	°	°	NOUN
admet-28	346	20	,	,	PUNCT
admet-28	346	21	κ2	κ2	NOUN
admet-28	346	22	=	=	SYM
admet-28	346	23	0	0	X
admet-28	346	24	.	.	PUNCT
admet-28	347	1	the	the	DET
admet-28	347	2	κ2	κ2	PROPN
admet-28	347	3	value	value	NOUN
admet-28	347	4	of	of	ADP
admet-28	347	5	2/3	2/3	NUM
admet-28	347	6	is	be	AUX
admet-28	347	7	commonly	commonly	ADV
admet-28	347	8	used	use	VERB
admet-28	347	9	,	,	PUNCT
admet-28	347	10	and	and	CCONJ
admet-28	347	11	accounts	account	VERB
admet-28	347	12	for	for	ADP
admet-28	347	13	random	random	ADJ
admet-28	347	14	distribution	distribution	NOUN
admet-28	347	15	of	of	ADP
admet-28	347	16	the	the	DET
admet-28	347	17	vector	vector	NOUN
admet-28	347	18	orientation	orientation	NOUN
admet-28	347	19	,	,	PUNCT
admet-28	347	20	i.e.	i.e.	X
admet-28	347	21	fast	fast	ADJ
admet-28	347	22	and	and	CCONJ
admet-28	347	23	complete	complete	ADJ
admet-28	347	24	rotation	rotation	NOUN
admet-28	347	25	of	of	ADP
admet-28	347	26	vectors	vector	NOUN
admet-28	347	27	during	during	ADP
admet-28	347	28	donor	donor	NOUN
admet-28	347	29	excited	excite	VERB
admet-28	347	30	state	state	NOUN
admet-28	347	31	lifetime	lifetime	NOUN
admet-28	347	32	.	.	PUNCT
admet-28	348	1	for	for	ADP
admet-28	348	2	ligand	ligand	PROPN
admet-28	348	3	bound	bind	VERB
admet-28	348	4	to	to	ADP
admet-28	348	5	the	the	DET
admet-28	348	6	protein	protein	NOUN
admet-28	348	7	,	,	PUNCT
admet-28	348	8	such	such	ADJ
admet-28	348	9	assumption	assumption	NOUN
admet-28	348	10	obviously	obviously	ADV
admet-28	348	11	does	do	AUX
admet-28	348	12	not	not	PART
admet-28	348	13	hold	hold	VERB
admet-28	348	14	.	.	PUNCT
admet-28	349	1	movement	movement	NOUN
admet-28	349	2	of	of	ADP
admet-28	349	3	both	both	CCONJ
admet-28	349	4	trp214	trp214	PROPN
admet-28	349	5	of	of	ADP
admet-28	349	6	hsa	hsa	PROPN
admet-28	349	7	and	and	CCONJ
admet-28	349	8	ligand	ligand	PROPN
admet-28	349	9	bound	bind	VERB
admet-28	349	10	to	to	ADP
admet-28	349	11	hsa	hsa	PROPN
admet-28	349	12	was	be	AUX
admet-28	349	13	constrained	constrain	VERB
admet-28	349	14	by	by	ADP
admet-28	349	15	the	the	DET
admet-28	349	16	rest	rest	NOUN
admet-28	349	17	of	of	ADP
admet-28	349	18	the	the	DET
admet-28	349	19	protein	protein	NOUN
admet-28	349	20	,	,	PUNCT
admet-28	349	21	and	and	CCONJ
admet-28	349	22	both	both	DET
admet-28	349	23	entities	entity	NOUN
admet-28	349	24	could	could	AUX
admet-28	349	25	only	only	ADV
admet-28	349	26	experience	experience	VERB
admet-28	349	27	rotations	rotation	NOUN
admet-28	349	28	and	and	CCONJ
admet-28	349	29	the	the	DET
admet-28	349	30	tumbling	tumbling	NOUN
admet-28	349	31	of	of	ADP
admet-28	349	32	the	the	DET
admet-28	349	33	whole	whole	ADJ
admet-28	349	34	protein	protein	NOUN
admet-28	349	35	-	-	PUNCT
admet-28	349	36	ligand	ligand	NOUN
admet-28	349	37	complex	complex	NOUN
admet-28	349	38	,	,	PUNCT
admet-28	349	39	which	which	PRON
admet-28	349	40	,	,	PUNCT
admet-28	349	41	for	for	ADP
admet-28	349	42	sure	sure	ADJ
admet-28	349	43	,	,	PUNCT
admet-28	349	44	did	do	AUX
admet-28	349	45	not	not	PART
admet-28	349	46	influence	influence	VERB
admet-28	349	47	spatial	spatial	ADJ
admet-28	349	48	orientation	orientation	NOUN
admet-28	349	49	of	of	ADP
admet-28	349	50	the	the	DET
admet-28	349	51	dipoles	dipole	NOUN
admet-28	349	52	.	.	PUNCT
admet-28	350	1	if	if	SCONJ
admet-28	350	2	a	a	DET
admet-28	350	3	very	very	ADV
admet-28	350	4	small	small	ADJ
admet-28	350	5	κ2	κ2	NOUN
admet-28	350	6	value	value	NOUN
admet-28	350	7	(	(	PUNCT
admet-28	350	8	0.001	0.001	NUM
admet-28	350	9	)	)	PUNCT
admet-28	350	10	is	be	AUX
admet-28	350	11	used	use	VERB
admet-28	350	12	,	,	PUNCT
admet-28	350	13	and	and	CCONJ
admet-28	350	14	all	all	DET
admet-28	350	15	other	other	ADJ
admet-28	350	16	values	value	NOUN
admet-28	350	17	kept	keep	VERB
admet-28	350	18	as	as	ADV
admet-28	350	19	described	describe	VERB
admet-28	350	20	above	above	ADV
admet-28	350	21	,	,	PUNCT
admet-28	350	22	reasonable	reasonable	ADJ
admet-28	350	23	value	value	NOUN
admet-28	350	24	for	for	ADP
admet-28	350	25	r	r	NOUN
admet-28	350	26	(	(	PUNCT
admet-28	350	27	approx	approx	PROPN
admet-28	350	28	.	.	PUNCT
admet-28	351	1	10	10	NUM
admet-28	351	2	å	å	NOUN
admet-28	351	3	)	)	PUNCT
admet-28	351	4	is	be	AUX
admet-28	351	5	obtained	obtain	VERB
admet-28	351	6	.	.	PUNCT
admet-28	352	1	angle	angle	NOUN
admet-28	352	2	between	between	ADP
admet-28	352	3	dipoles	dipole	NOUN
admet-28	352	4	of	of	ADP
admet-28	352	5	trp214	trp214	PROPN
admet-28	352	6	and	and	CCONJ
admet-28	352	7	comp	comp	NOUN
admet-28	352	8	.	.	PUNCT
admet-28	352	9	1	1	NUM
admet-28	352	10	in	in	ADP
admet-28	352	11	excited	excited	ADJ
admet-28	352	12	states	state	NOUN
admet-28	352	13	,	,	PUNCT
admet-28	352	14	calculated	calculate	VERB
admet-28	352	15	on	on	ADP
admet-28	352	16	semiempirical	semiempirical	ADJ
admet-28	352	17	level	level	NOUN
admet-28	352	18	of	of	ADP
admet-28	352	19	theory	theory	NOUN
admet-28	352	20	,	,	PUNCT
admet-28	352	21	retaining	retain	VERB
admet-28	352	22	spatial	spatial	ADJ
admet-28	352	23	orientation	orientation	NOUN
admet-28	352	24	of	of	ADP
admet-28	352	25	trp214	trp214	PROPN
admet-28	352	26	and	and	CCONJ
admet-28	352	27	comp	comp	NOUN
admet-28	352	28	.	.	PUNCT
admet-28	353	1	1	1	NUM
admet-28	353	2	exactly	exactly	ADV
admet-28	353	3	as	as	SCONJ
admet-28	353	4	found	find	VERB
admet-28	353	5	by	by	ADP
admet-28	353	6	molecular	molecular	ADJ
admet-28	353	7	docking	docking	NOUN
admet-28	353	8	and	and	CCONJ
admet-28	353	9	posterior	posterior	ADJ
admet-28	353	10	minimization	minimization	NOUN
admet-28	353	11	by	by	ADP
admet-28	353	12	md	md	PROPN
admet-28	353	13	,	,	PUNCT
admet-28	353	14	is	be	AUX
admet-28	353	15	close	close	ADJ
admet-28	353	16	to	to	PART
admet-28	353	17	90	90	NUM
admet-28	353	18	°	°	NOUN
admet-28	353	19	,	,	PUNCT
admet-28	353	20	as	as	SCONJ
admet-28	353	21	is	be	AUX
admet-28	353	22	shown	show	VERB
admet-28	353	23	on	on	ADP
admet-28	353	24	figure	figure	NOUN
admet-28	353	25	15	15	NUM
admet-28	353	26	.	.	PUNCT
admet-28	354	1	figure	figure	NOUN
admet-28	354	2	15	15	NUM
admet-28	354	3	.	.	PUNCT
admet-28	355	1	dipoles	dipole	NOUN
admet-28	355	2	(	(	PUNCT
admet-28	355	3	values	value	NOUN
admet-28	355	4	in	in	ADP
admet-28	355	5	debye	debye	ADJ
admet-28	355	6	)	)	PUNCT
admet-28	355	7	of	of	ADP
admet-28	355	8	the	the	DET
admet-28	355	9	trp214	trp214	PROPN
admet-28	355	10	and	and	CCONJ
admet-28	355	11	the	the	DET
admet-28	355	12	comp	comp	NOUN
admet-28	355	13	.	.	PUNCT
admet-28	355	14	1	1	NUM
admet-28	355	15	in	in	ADP
admet-28	355	16	excited	excited	ADJ
admet-28	355	17	states	state	NOUN
admet-28	355	18	,	,	PUNCT
admet-28	355	19	calculated	calculate	VERB
admet-28	355	20	on	on	ADP
admet-28	355	21	semiempirical	semiempirical	ADJ
admet-28	355	22	level	level	NOUN
admet-28	355	23	of	of	ADP
admet-28	355	24	theory	theory	NOUN
admet-28	355	25	.	.	PUNCT
admet-28	356	1	4	4	X
admet-28	356	2	.	.	X
admet-28	356	3	conclusions	conclusion	NOUN
admet-28	356	4	interactions	interaction	NOUN
admet-28	356	5	between	between	ADP
admet-28	356	6	2-[(carboxymethyl)sulfanyl]-4	2-[(carboxymethyl)sulfanyl]-4	NUM
admet-28	356	7	-	-	PUNCT
admet-28	356	8	oxo-4-(4	oxo-4-(4	NOUN
admet-28	356	9	-	-	PUNCT
admet-28	356	10	tert	tert	NOUN
admet-28	356	11	-	-	PUNCT
admet-28	356	12	butylphenyl)butanoic	butylphenyl)butanoic	NOUN
admet-28	356	13	acid	acid	NOUN
admet-28	356	14	(	(	PUNCT
admet-28	356	15	comp	comp	NOUN
admet-28	356	16	.	.	PUNCT
admet-28	357	1	1	1	NUM
admet-28	357	2	)	)	PUNCT
admet-28	358	1	and	and	CCONJ
admet-28	358	2	its	its	PRON
admet-28	358	3	mono	mono	NOUN
admet-28	358	4	-	-	PUNCT
admet-28	358	5	me	i	PRON
admet-28	358	6	-	-	PUNCT
admet-28	358	7	ester	ester	NOUN
admet-28	358	8	(	(	PUNCT
admet-28	358	9	comp	comp	NOUN
admet-28	358	10	.	.	PUNCT
admet-28	359	1	2	2	NUM
admet-28	359	2	)	)	PUNCT
admet-28	359	3	with	with	ADP
admet-28	359	4	the	the	DET
admet-28	359	5	human	human	ADJ
admet-28	359	6	serum	serum	NOUN
admet-28	359	7	albumin	albumin	PROPN
admet-28	359	8	(	(	PUNCT
admet-28	359	9	hsa	hsa	PROPN
admet-28	359	10	)	)	PUNCT
admet-28	359	11	have	have	AUX
admet-28	359	12	been	be	AUX
admet-28	359	13	studied	study	VERB
admet-28	359	14	by	by	ADP
admet-28	359	15	fluorescence	fluorescence	NOUN
admet-28	359	16	spectroscopy	spectroscopy	NOUN
admet-28	359	17	and	and	CCONJ
admet-28	359	18	molecular	molecular	ADJ
admet-28	359	19	modeling	modeling	NOUN
admet-28	359	20	.	.	PUNCT
admet-28	360	1	examined	examine	VERB
admet-28	360	2	compounds	compound	NOUN
admet-28	360	3	have	have	VERB
admet-28	360	4	the	the	DET
admet-28	360	5	ability	ability	NOUN
admet-28	360	6	to	to	PART
admet-28	360	7	quench	quench	VERB
admet-28	360	8	the	the	DET
admet-28	360	9	intrinsic	intrinsic	ADJ
admet-28	360	10	fluorescence	fluorescence	NOUN
admet-28	360	11	of	of	ADP
admet-28	360	12	hsa	hsa	PROPN
admet-28	360	13	through	through	ADP
admet-28	360	14	the	the	DET
admet-28	360	15	static	static	ADJ
admet-28	360	16	quenching	quenching	NOUN
admet-28	360	17	mechanism	mechanism	NOUN
admet-28	360	18	.	.	PUNCT
admet-28	361	1	competitive	competitive	ADJ
admet-28	361	2	binding	bind	VERB
admet-28	361	3	experiments	experiment	NOUN
admet-28	361	4	at	at	ADP
admet-28	361	5	t	t	NOUN
admet-28	361	6	=	=	SYM
admet-28	361	7	37	37	NUM
admet-28	361	8	±	±	NUM
admet-28	361	9	1	1	NUM
admet-28	361	10	c	c	VERB
admet-28	361	11	with	with	ADP
admet-28	361	12	specific	specific	ADJ
admet-28	361	13	binding	bind	VERB
admet-28	361	14	site	site	NOUN
admet-28	361	15	probes	probe	NOUN
admet-28	361	16	(	(	PUNCT
admet-28	361	17	warfarin	warfarin	NOUN
admet-28	361	18	for	for	ADP
admet-28	361	19	sudlow	sudlow	ADJ
admet-28	361	20	site	site	NOUN
admet-28	361	21	i	i	PRON
admet-28	361	22	and	and	CCONJ
admet-28	361	23	ibuprofen	ibuprofen	NOUN
admet-28	361	24	for	for	ADP
admet-28	361	25	sudlow	sudlow	PROPN
admet-28	361	26	site	site	PROPN
admet-28	361	27	ii	ii	PROPN
admet-28	361	28	)	)	PUNCT
admet-28	361	29	showed	show	VERB
admet-28	361	30	that	that	SCONJ
admet-28	361	31	comp	comp	NOUN
admet-28	361	32	.	.	PUNCT
admet-28	362	1	1	1	NUM
admet-28	362	2	selectively	selectively	ADV
admet-28	362	3	binds	bind	VERB
admet-28	362	4	to	to	PART
admet-28	362	5	sudlow	sudlow	VERB
admet-28	362	6	site	site	NOUN
admet-28	362	7	i	i	PRON
admet-28	362	8	with	with	ADP
admet-28	362	9	moderate	moderate	ADJ
admet-28	362	10	binding	bind	VERB
admet-28	362	11	constant	constant	ADJ
admet-28	362	12	kb	kb	PROPN
admet-28	362	13	=	=	SYM
admet-28	362	14	(	(	PUNCT
admet-28	362	15	2.8	2.8	NUM
admet-28	362	16	±	±	NUM
admet-28	362	17	0.5	0.5	NUM
admet-28	362	18	)	)	PUNCT
admet-28	362	19			PROPN
admet-28	362	20	104	104	NUM
admet-28	362	21	m-1	m-1	NOUN
admet-28	362	22	,	,	PUNCT
admet-28	362	23	while	while	SCONJ
admet-28	362	24	comp	comp	X
admet-28	362	25	.	.	NOUN
admet-28	362	26	2	2	NUM
admet-28	362	27	preferably	preferably	ADV
admet-28	362	28	bind	bind	VERB
admet-28	362	29	to	to	ADP
admet-28	362	30	sudlow	sudlow	VERB
admet-28	362	31	site	site	PROPN
admet-28	362	32	ii	ii	PROPN
admet-28	362	33	with	with	ADP
admet-28	362	34	binding	bind	VERB
admet-28	362	35	constant	constant	ADJ
admet-28	362	36	kb	kb	PROPN
admet-28	362	37	=	=	SYM
admet-28	362	38	(	(	PUNCT
admet-28	362	39	3.2	3.2	NUM
admet-28	362	40	±	±	NUM
admet-28	362	41	0.9	0.9	NUM
admet-28	362	42	)	)	PUNCT
admet-28	362	43			PROPN
admet-28	362	44	104	104	NUM
admet-28	362	45	m-1	m-1	NUM
admet-28	362	46	.	.	PUNCT
admet-28	363	1	these	these	DET
admet-28	363	2	results	result	NOUN
admet-28	363	3	,	,	PUNCT
admet-28	363	4	along	along	ADP
admet-28	363	5	with	with	ADP
admet-28	363	6	the	the	DET
admet-28	363	7	estimated	estimate	VERB
admet-28	363	8	effective	effective	ADJ
admet-28	363	9	quenching	quenching	NOUN
admet-28	363	10	constants	constant	NOUN
admet-28	363	11	suggest	suggest	VERB
admet-28	363	12	that	that	SCONJ
admet-28	363	13	the	the	DET
admet-28	363	14	binding	bind	VERB
admet-28	363	15	constant	constant	NOUN
admet-28	363	16	between	between	ADP
admet-28	363	17	comp	comp	NOUN
admet-28	363	18	.	.	PUNCT
admet-28	363	19	1	1	NUM
admet-28	363	20	or	or	CCONJ
admet-28	363	21	2	2	NUM
admet-28	363	22	and	and	CCONJ
admet-28	363	23	hsa	hsa	PROPN
admet-28	363	24	is	be	AUX
admet-28	363	25	a	a	DET
admet-28	363	26	moderate	moderate	ADJ
admet-28	363	27	one	one	NUM
admet-28	363	28	.	.	PUNCT
admet-28	364	1	hence	hence	ADV
admet-28	364	2	,	,	PUNCT
admet-28	364	3	both	both	DET
admet-28	364	4	comp	comp	NOUN
admet-28	364	5	.	.	PUNCT
admet-28	365	1	1	1	NUM
admet-28	365	2	and	and	CCONJ
admet-28	365	3	2	2	NUM
admet-28	365	4	can	can	AUX
admet-28	365	5	be	be	AUX
admet-28	365	6	stored	store	VERB
admet-28	365	7	and	and	CCONJ
admet-28	365	8	carried	carry	VERB
admet-28	365	9	by	by	ADP
admet-28	365	10	hsa	hsa	PROPN
admet-28	365	11	in	in	ADP
admet-28	365	12	the	the	DET
admet-28	365	13	human	human	ADJ
admet-28	365	14	body	body	NOUN
admet-28	365	15	.	.	PUNCT
admet-28	366	1	the	the	DET
admet-28	366	2	possibility	possibility	NOUN
admet-28	366	3	of	of	ADP
admet-28	366	4	energy	energy	NOUN
admet-28	366	5	resonance	resonance	NOUN
admet-28	366	6	transfer	transfer	NOUN
admet-28	366	7	is	be	AUX
admet-28	366	8	examined	examine	VERB
admet-28	366	9	according	accord	VERB
admet-28	366	10	to	to	ADP
admet-28	366	11	förster	förster	NOUN
admet-28	366	12	’s	’s	PART
admet-28	366	13	non	non	ADJ
admet-28	366	14	-	-	ADJ
admet-28	366	15	radiative	radiative	ADJ
admet-28	366	16	energy	energy	NOUN
admet-28	366	17	transfer	transfer	NOUN
admet-28	366	18	theory	theory	NOUN
admet-28	366	19	.	.	PUNCT
admet-28	367	1	according	accord	VERB
admet-28	367	2	to	to	ADP
admet-28	367	3	calculated	calculate	VERB
admet-28	367	4	distance	distance	NOUN
admet-28	367	5	between	between	ADP
admet-28	367	6	hsa	hsa	PROPN
admet-28	367	7	trp214	trp214	PROPN
admet-28	367	8	and	and	CCONJ
admet-28	367	9	comp	comp	NOUN
admet-28	367	10	.	.	PUNCT
admet-28	368	1	1	1	NUM
admet-28	368	2	it	it	PRON
admet-28	368	3	was	be	AUX
admet-28	368	4	concluded	conclude	VERB
admet-28	368	5	that	that	SCONJ
admet-28	368	6	energy	energy	NOUN
admet-28	368	7	resonance	resonance	NOUN
admet-28	368	8	transfer	transfer	NOUN
admet-28	368	9	between	between	ADP
admet-28	368	10	hsa	hsa	PROPN
admet-28	368	11	and	and	CCONJ
admet-28	368	12	comp	comp	NOUN
admet-28	368	13	.	.	PUNCT
admet-28	369	1	1	1	NUM
admet-28	369	2	is	be	AUX
admet-28	369	3	feasible	feasible	ADJ
admet-28	369	4	process	process	NOUN
admet-28	369	5	.	.	PUNCT
admet-28	370	1	somewhat	somewhat	ADV
admet-28	370	2	more	more	ADV
admet-28	370	3	detailed	detailed	ADJ
admet-28	370	4	admet	admet	NOUN
admet-28	370	5	&	&	CCONJ
admet-28	370	6	dmpk	dmpk	PROPN
admet-28	370	7	2(2	2(2	NUM
admet-28	370	8	)	)	PUNCT
admet-28	370	9	(	(	PUNCT
admet-28	370	10	2014	2014	NUM
admet-28	370	11	)	)	PUNCT
admet-28	370	12	126	126	NUM
admet-28	370	13	-	-	SYM
admet-28	370	14	142	142	NUM
admet-28	370	15	hsa	hsa	PROPN
admet-28	370	16	binding	bind	VERB
admet-28	370	17	doi	doi	NOUN
admet-28	370	18	:	:	PUNCT
admet-28	370	19	10.5599	10.5599	NUM
admet-28	370	20	/	/	SYM
admet-28	370	21	admet.2.2.28	admet.2.2.28	NOUN
admet-28	370	22	141	141	NUM
admet-28	370	23	consideration	consideration	NOUN
admet-28	370	24	of	of	ADP
admet-28	370	25	terms	term	NOUN
admet-28	370	26	included	include	VERB
admet-28	370	27	in	in	ADP
admet-28	370	28	calculations	calculation	NOUN
admet-28	370	29	,	,	PUNCT
admet-28	370	30	reveled	revel	VERB
admet-28	370	31	reasonable	reasonable	ADJ
admet-28	370	32	distance	distance	NOUN
admet-28	370	33	between	between	ADP
admet-28	370	34	comp	comp	NOUN
admet-28	370	35	.	.	PUNCT
admet-28	370	36	1	1	NUM
admet-28	370	37	and	and	CCONJ
admet-28	370	38	trp214	trp214	PROPN
admet-28	370	39	of	of	ADP
admet-28	370	40	hsa	hsa	PROPN
admet-28	370	41	,	,	PUNCT
admet-28	370	42	in	in	ADP
admet-28	370	43	accordance	accordance	NOUN
admet-28	370	44	with	with	ADP
admet-28	370	45	other	other	ADJ
admet-28	370	46	experimental	experimental	ADJ
admet-28	370	47	data	datum	NOUN
admet-28	370	48	and	and	CCONJ
admet-28	370	49	molecular	molecular	ADJ
admet-28	370	50	modeling	modeling	NOUN
admet-28	370	51	.	.	PUNCT
admet-28	371	1	docking	dock	VERB
admet-28	371	2	studies	study	NOUN
admet-28	371	3	showed	show	VERB
admet-28	371	4	that	that	SCONJ
admet-28	371	5	preferable	preferable	ADJ
admet-28	371	6	binding	bind	VERB
admet-28	371	7	site	site	NOUN
admet-28	371	8	of	of	ADP
admet-28	371	9	comp	comp	NOUN
admet-28	371	10	.	.	PUNCT
admet-28	372	1	1	1	NUM
admet-28	372	2	is	be	AUX
admet-28	372	3	sudlow	sudlow	ADJ
admet-28	372	4	site	site	NOUN
admet-28	372	5	i	i	PRON
admet-28	372	6	,	,	PUNCT
admet-28	372	7	while	while	SCONJ
admet-28	372	8	comp	comp	X
admet-28	372	9	.	.	NOUN
admet-28	372	10	2	2	NUM
admet-28	372	11	binds	bind	VERB
admet-28	372	12	to	to	PART
admet-28	372	13	sudlow	sudlow	VERB
admet-28	372	14	site	site	PROPN
admet-28	372	15	ii	ii	PROPN
admet-28	372	16	.	.	PUNCT
admet-28	373	1	molecular	molecular	ADJ
admet-28	373	2	dynamics	dynamic	NOUN
admet-28	373	3	simulations	simulation	NOUN
admet-28	373	4	confirmed	confirm	VERB
admet-28	373	5	the	the	DET
admet-28	373	6	stability	stability	NOUN
admet-28	373	7	of	of	ADP
admet-28	373	8	hsa	hsa	PROPN
admet-28	373	9	complex	complex	NOUN
admet-28	373	10	with	with	ADP
admet-28	373	11	the	the	DET
admet-28	373	12	comp	comp	NOUN
admet-28	373	13	.	.	PUNCT
admet-28	374	1	1	1	NUM
admet-28	374	2	,	,	PUNCT
admet-28	374	3	and	and	CCONJ
admet-28	374	4	the	the	DET
admet-28	374	5	sudlow	sudlow	ADJ
admet-28	374	6	site	site	NOUN
admet-28	374	7	i	i	PRON
admet-28	374	8	as	as	ADP
admet-28	374	9	a	a	DET
admet-28	374	10	most	most	ADV
admet-28	374	11	probable	probable	ADJ
admet-28	374	12	binding	bind	VERB
admet-28	374	13	site	site	NOUN
admet-28	374	14	.	.	PUNCT
admet-28	375	1	acknowledgements	acknowledgement	NOUN
admet-28	375	2	:	:	PUNCT
admet-28	375	3	ministry	ministry	NOUN
admet-28	375	4	of	of	ADP
admet-28	375	5	education	education	PROPN
admet-28	375	6	,	,	PUNCT
admet-28	375	7	science	science	NOUN
admet-28	375	8	,	,	PUNCT
admet-28	375	9	and	and	CCONJ
admet-28	375	10	technological	technological	ADJ
admet-28	375	11	development	development	NOUN
admet-28	375	12	of	of	ADP
admet-28	375	13	serbia	serbia	PROPN
admet-28	375	14	(	(	PUNCT
admet-28	375	15	grant	grant	VERB
admet-28	375	16	no	no	NOUN
admet-28	375	17	.	.	PROPN
admet-28	375	18	172035	172035	NUM
admet-28	375	19	)	)	PUNCT
admet-28	375	20	,	,	PUNCT
admet-28	375	21	the	the	DET
admet-28	375	22	european	european	PROPN
admet-28	375	23	commission	commission	PROPN
admet-28	375	24	(	(	PUNCT
admet-28	375	25	fp7	fp7	PROPN
admet-28	375	26	project	project	NOUN
admet-28	375	27	hp	hp	NOUN
admet-28	375	28	-	-	PUNCT
admet-28	375	29	see	see	ADJ
admet-28	375	30	(	(	PUNCT
admet-28	375	31	contract	contract	NOUN
admet-28	375	32	number	number	NOUN
admet-28	375	33	261499	261499	NUM
admet-28	375	34	)	)	PUNCT
admet-28	375	35	http://www.hp-see.eu/	http://www.hp-see.eu/	PROPN
admet-28	375	36	,	,	PUNCT
admet-28	375	37	and	and	CCONJ
admet-28	375	38	fp7	fp7	PROPN
admet-28	375	39	regpot	regpot	NOUN
admet-28	375	40	project	project	NOUN
admet-28	375	41	fcub	fcub	PROPN
admet-28	375	42	era	era	PROPN
admet-28	375	43	ga	ga	PROPN
admet-28	375	44	(	(	PUNCT
admet-28	375	45	no	no	INTJ
admet-28	375	46	.	.	NOUN
admet-28	375	47	256716	256716	NUM
admet-28	375	48	)	)	PUNCT
admet-28	375	49	)	)	PUNCT
admet-28	375	50	supported	support	VERB
admet-28	375	51	this	this	DET
admet-28	375	52	work	work	NOUN
admet-28	375	53	.	.	PUNCT
admet-28	376	1	the	the	DET
admet-28	376	2	ec	ec	PROPN
admet-28	376	3	does	do	AUX
admet-28	376	4	not	not	PART
admet-28	376	5	share	share	VERB
admet-28	376	6	responsibility	responsibility	NOUN
admet-28	376	7	for	for	ADP
admet-28	376	8	the	the	DET
admet-28	376	9	content	content	NOUN
admet-28	376	10	of	of	ADP
admet-28	376	11	the	the	DET
admet-28	376	12	article	article	NOUN
admet-28	376	13	.	.	PUNCT
admet-28	377	1	authors	author	NOUN
admet-28	377	2	gratefully	gratefully	ADV
admet-28	377	3	acknowledge	acknowledge	VERB
admet-28	377	4	computational	computational	ADJ
admet-28	377	5	time	time	NOUN
admet-28	377	6	provided	provide	VERB
admet-28	377	7	by	by	ADP
admet-28	377	8	hpcg	hpcg	ADJ
admet-28	377	9	cluster	cluster	NOUN
admet-28	377	10	,	,	PUNCT
admet-28	377	11	located	locate	VERB
admet-28	377	12	at	at	ADP
admet-28	377	13	the	the	DET
admet-28	377	14	institute	institute	NOUN
admet-28	377	15	of	of	ADP
admet-28	377	16	information	information	NOUN
admet-28	377	17	and	and	CCONJ
admet-28	377	18	communication	communication	NOUN
admet-28	377	19	technologies	technology	NOUN
admet-28	377	20	of	of	ADP
admet-28	377	21	the	the	DET
admet-28	377	22	bulgarian	bulgarian	PROPN
admet-28	377	23	academy	academy	PROPN
admet-28	377	24	of	of	ADP
admet-28	377	25	science	science	PROPN
admet-28	377	26	(	(	PUNCT
admet-28	377	27	iict	iict	VERB
admet-28	377	28	-	-	PUNCT
admet-28	377	29	bas	bas	X
admet-28	377	30	)	)	PUNCT
admet-28	377	31	.	.	PUNCT
admet-28	378	1	authors	author	NOUN
admet-28	378	2	gratefully	gratefully	ADV
admet-28	378	3	acknowledge	acknowledge	VERB
admet-28	378	4	openeye	openeye	PROPN
admet-28	378	5	scientific	scientific	ADJ
admet-28	378	6	software	software	NOUN
admet-28	378	7	,	,	PUNCT
admet-28	378	8	santa	santa	PROPN
admet-28	378	9	fe	fe	PROPN
admet-28	378	10	,	,	PUNCT
admet-28	378	11	nm	nm	PROPN
admet-28	378	12	,	,	PUNCT
admet-28	378	13	for	for	ADP
admet-28	378	14	the	the	DET
admet-28	378	15	free	free	ADJ
admet-28	378	16	academic	academic	ADJ
admet-28	378	17	licensing	licensing	NOUN
admet-28	378	18	of	of	ADP
admet-28	378	19	software	software	NOUN
admet-28	378	20	tools	tool	NOUN
admet-28	378	21	.	.	PUNCT
admet-28	379	1	references	reference	NOUN
admet-28	379	2	[	[	X
admet-28	379	3	1	1	NUM
admet-28	379	4	]	]	X
admet-28	379	5	b.j	b.j	PROPN
admet-28	379	6	.	.	PROPN
admet-28	379	7	drakulić	drakulić	NOUN
admet-28	379	8	,	,	PUNCT
admet-28	379	9	z.d	z.d	PROPN
admet-28	379	10	.	.	PROPN
admet-28	379	11	juranić	juranić	PROPN
admet-28	379	12	,	,	PUNCT
admet-28	379	13	t.p	t.p	PROPN
admet-28	379	14	.	.	PROPN
admet-28	379	15	stanojković	stanojković	PROPN
admet-28	379	16	,	,	PUNCT
admet-28	379	17	i.o	i.o	PROPN
admet-28	379	18	.	.	PROPN
admet-28	379	19	juranić	juranić	PROPN
admet-28	379	20	,	,	PUNCT
admet-28	379	21	journal	journal	NOUN
admet-28	379	22	of	of	ADP
admet-28	379	23	medicinal	medicinal	ADJ
admet-28	379	24	chemistry	chemistry	NOUN
admet-28	379	25	48	48	NUM
admet-28	379	26	(	(	PUNCT
admet-28	379	27	2005	2005	NUM
admet-28	379	28	)	)	PUNCT
admet-28	379	29	5600	5600	NUM
admet-28	379	30	-	-	SYM
admet-28	379	31	5603	5603	NUM
admet-28	379	32	.	.	PUNCT
admet-28	380	1	[	[	X
admet-28	380	2	2	2	NUM
admet-28	380	3	]	]	X
admet-28	380	4	b.j	b.j	PROPN
admet-28	380	5	.	.	PROPN
admet-28	380	6	drakulić	drakulić	NOUN
admet-28	380	7	,	,	PUNCT
admet-28	380	8	ž.s	ž.s	PROPN
admet-28	380	9	.	.	PROPN
admet-28	380	10	žižak	žižak	PROPN
admet-28	380	11	,	,	PUNCT
admet-28	380	12	t.p	t.p	PROPN
admet-28	380	13	.	.	PROPN
admet-28	380	14	stanojković	stanojković	PROPN
admet-28	380	15	,	,	PUNCT
admet-28	380	16	s.	s.	PROPN
admet-28	380	17	ristić	ristić	PROPN
admet-28	380	18	,	,	PUNCT
admet-28	380	19	d.m	d.m	PROPN
admet-28	380	20	.	.	PROPN
admet-28	380	21	gođevac	gođevac	PROPN
admet-28	380	22	,	,	PUNCT
admet-28	380	23	i.o	i.o	PROPN
admet-28	380	24	.	.	PROPN
admet-28	380	25	juranić	juranić	PROPN
admet-28	380	26	,	,	PUNCT
admet-28	380	27	euroqsar	euroqsar	PROPN
admet-28	380	28	2012	2012	NUM
admet-28	380	29	‘	'	PUNCT
admet-28	380	30	knowledge	knowledge	NOUN
admet-28	380	31	enabled	enable	VERB
admet-28	380	32	ligand	ligand	NOUN
admet-28	380	33	design	design	NOUN
admet-28	380	34	’	'	PUNCT
admet-28	380	35	,	,	PUNCT
admet-28	380	36	book	book	NOUN
admet-28	380	37	of	of	ADP
admet-28	380	38	abstracts	abstract	NOUN
admet-28	380	39	,	,	PUNCT
admet-28	380	40	vienna	vienna	PROPN
admet-28	380	41	,	,	PUNCT
admet-28	380	42	austria	austria	PROPN
admet-28	380	43	,	,	PUNCT
admet-28	380	44	august	august	PROPN
admet-28	380	45	26	26	NUM
admet-28	380	46	-	-	SYM
admet-28	380	47	30	30	NUM
admet-28	380	48	,	,	PUNCT
admet-28	380	49	2012	2012	NUM
admet-28	380	50	,	,	PUNCT
admet-28	380	51	p.	p.	NOUN
admet-28	380	52	147	147	NUM
admet-28	380	53	.	.	PUNCT
admet-28	381	1	[	[	X
admet-28	381	2	3	3	X
admet-28	381	3	]	]	PUNCT
admet-28	381	4	t.	t.	PROPN
admet-28	381	5	peters	peters	PROPN
admet-28	381	6	jr	jr	PROPN
admet-28	381	7	.	.	PROPN
admet-28	382	1	all	all	ADV
admet-28	382	2	about	about	ADP
admet-28	382	3	albumin	albumin	NOUN
admet-28	382	4	,	,	PUNCT
admet-28	382	5	biochemistry	biochemistry	NOUN
admet-28	382	6	,	,	PUNCT
admet-28	382	7	genetics	genetic	NOUN
admet-28	382	8	,	,	PUNCT
admet-28	382	9	and	and	CCONJ
admet-28	382	10	medical	medical	ADJ
admet-28	382	11	applications	application	NOUN
admet-28	382	12	,	,	PUNCT
admet-28	382	13	first	first	ADJ
admet-28	382	14	ed	ed	NOUN
admet-28	382	15	.	.	PUNCT
admet-28	382	16	academic	academic	ADJ
admet-28	382	17	press	press	NOUN
admet-28	382	18	,	,	PUNCT
admet-28	382	19	san	san	PROPN
admet-28	382	20	diego	diego	PROPN
admet-28	382	21	,	,	PUNCT
admet-28	382	22	california	california	PROPN
admet-28	382	23	,	,	PUNCT
admet-28	382	24	usa	usa	PROPN
admet-28	382	25	,	,	PUNCT
admet-28	382	26	1995	1995	NUM
admet-28	382	27	.	.	PUNCT
admet-28	383	1	[	[	X
admet-28	383	2	4	4	X
admet-28	383	3	]	]	X
admet-28	383	4	g.	g.	PROPN
admet-28	383	5	sudlow	sudlow	PROPN
admet-28	383	6	,	,	PUNCT
admet-28	383	7	d.j	d.j	PROPN
admet-28	383	8	.	.	PROPN
admet-28	383	9	birkett	birkett	PROPN
admet-28	383	10	,	,	PUNCT
admet-28	383	11	d.n	d.n	PROPN
admet-28	383	12	.	.	PROPN
admet-28	383	13	wade	wade	PROPN
admet-28	383	14	,	,	PUNCT
admet-28	383	15	molecular	molecular	ADJ
admet-28	383	16	pharmacology	pharmacology	NOUN
admet-28	383	17	11	11	NUM
admet-28	383	18	(	(	PUNCT
admet-28	383	19	1975	1975	NUM
admet-28	383	20	)	)	PUNCT
admet-28	383	21	824	824	NUM
admet-28	383	22	-	-	SYM
admet-28	383	23	832	832	NUM
admet-28	383	24	.	.	PUNCT
admet-28	384	1	[	[	X
admet-28	384	2	5	5	X
admet-28	384	3	]	]	PUNCT
admet-28	384	4	g.	g.	PROPN
admet-28	384	5	sudlow	sudlow	PROPN
admet-28	384	6	,	,	PUNCT
admet-28	384	7	d.j	d.j	PROPN
admet-28	384	8	.	.	PROPN
admet-28	384	9	birkett	birkett	PROPN
admet-28	384	10	,	,	PUNCT
admet-28	384	11	d.n	d.n	PROPN
admet-28	384	12	.	.	PROPN
admet-28	384	13	wade	wade	PROPN
admet-28	384	14	,	,	PUNCT
admet-28	384	15	molecular	molecular	ADJ
admet-28	384	16	pharmacology	pharmacology	NOUN
admet-28	384	17	12	12	NUM
admet-28	384	18	(	(	PUNCT
admet-28	384	19	1976	1976	NUM
admet-28	384	20	)	)	PUNCT
admet-28	384	21	1052	1052	NUM
admet-28	384	22	-	-	SYM
admet-28	384	23	1061	1061	NUM
admet-28	384	24	.	.	PUNCT
admet-28	385	1	[	[	X
admet-28	385	2	6	6	NUM
admet-28	385	3	]	]	PUNCT
admet-28	385	4	j.	j.	PROPN
admet-28	385	5	ghuman	ghuman	PROPN
admet-28	385	6	,	,	PUNCT
admet-28	385	7	p.a	p.a	PROPN
admet-28	385	8	.	.	PROPN
admet-28	385	9	zunszain	zunszain	PROPN
admet-28	385	10	,	,	PUNCT
admet-28	385	11	i.	i.	PROPN
admet-28	385	12	petitpas	petitpas	PROPN
admet-28	385	13	,	,	PUNCT
admet-28	385	14	a.a	a.a	PROPN
admet-28	385	15	.	.	PROPN
admet-28	385	16	bhattacharya	bhattacharya	PROPN
admet-28	385	17	,	,	PUNCT
admet-28	385	18	m.	m.	NOUN
admet-28	385	19	otagiri	otagiri	PROPN
admet-28	385	20	,	,	PUNCT
admet-28	385	21	s.	s.	PROPN
admet-28	385	22	curry	curry	PROPN
admet-28	385	23	,	,	PUNCT
admet-28	385	24	journal	journal	NOUN
admet-28	385	25	of	of	ADP
admet-28	385	26	molecular	molecular	ADJ
admet-28	385	27	biology	biology	NOUN
admet-28	385	28	353	353	NUM
admet-28	385	29	(	(	PUNCT
admet-28	385	30	2005	2005	NUM
admet-28	385	31	)	)	PUNCT
admet-28	385	32	38	38	NUM
admet-28	385	33	-	-	SYM
admet-28	385	34	52	52	NUM
admet-28	385	35	.	.	PUNCT
admet-28	386	1	[	[	X
admet-28	386	2	7	7	X
admet-28	386	3	]	]	PUNCT
admet-28	386	4	k.	k.	PROPN
admet-28	386	5	yamasaki	yamasaki	PROPN
admet-28	386	6	,	,	PUNCT
admet-28	386	7	v.t.g	v.t.g	NOUN
admet-28	386	8	.	.	PUNCT
admet-28	386	9	chuang	chuang	PROPN
admet-28	386	10	,	,	PUNCT
admet-28	386	11	t.	t.	PROPN
admet-28	386	12	maruyama	maruyama	PROPN
admet-28	386	13	,	,	PUNCT
admet-28	386	14	m.	m.	NOUN
admet-28	386	15	otagiri	otagiri	PROPN
admet-28	386	16	,	,	PUNCT
admet-28	386	17	biochimica	biochimica	PROPN
admet-28	386	18	et	et	PROPN
admet-28	386	19	biophysica	biophysica	PROPN
admet-28	386	20	acta	acta	PROPN
admet-28	386	21	(	(	PUNCT
admet-28	386	22	bba	bba	NOUN
admet-28	386	23	)	)	PUNCT
admet-28	386	24	general	general	ADJ
admet-28	386	25	subjects	subject	NOUN
admet-28	386	26	1830	1830	NUM
admet-28	386	27	(	(	PUNCT
admet-28	386	28	2013	2013	NUM
admet-28	386	29	)	)	PUNCT
admet-28	386	30	5435	5435	NUM
admet-28	386	31	-	-	SYM
admet-28	386	32	5443	5443	NUM
admet-28	386	33	.	.	PUNCT
admet-28	387	1	[	[	X
admet-28	387	2	8	8	NUM
admet-28	387	3	]	]	X
admet-28	387	4	b.	b.	PROPN
admet-28	387	5	meyer	meyer	PROPN
admet-28	387	6	,	,	PUNCT
admet-28	387	7	t.	t.	PROPN
admet-28	387	8	peters	peters	PROPN
admet-28	387	9	,	,	PUNCT
admet-28	387	10	angewandte	angewandte	PROPN
admet-28	387	11	chemie	chemie	PROPN
admet-28	387	12	international	international	PROPN
admet-28	387	13	edition	edition	PROPN
admet-28	387	14	42	42	NUM
admet-28	387	15	(	(	PUNCT
admet-28	387	16	2003	2003	NUM
admet-28	387	17	)	)	PUNCT
admet-28	387	18	865	865	NUM
admet-28	387	19	-	-	SYM
admet-28	387	20	890	890	NUM
admet-28	387	21	.	.	PUNCT
admet-28	388	1	[	[	X
admet-28	388	2	9	9	NUM
admet-28	388	3	]	]	X
admet-28	388	4	y.s	y.s	PROPN
admet-28	388	5	.	.	PROPN
admet-28	388	6	wang	wang	PROPN
admet-28	388	7	,	,	PUNCT
admet-28	388	8	d.	d.	PROPN
admet-28	388	9	liu	liu	PROPN
admet-28	388	10	,	,	PUNCT
admet-28	388	11	d.	d.	PROPN
admet-28	388	12	f.	f.	PROPN
admet-28	388	13	wyss	wyss	PROPN
admet-28	388	14	,	,	PUNCT
admet-28	388	15	magnetic	magnetic	ADJ
admet-28	388	16	resonance	resonance	NOUN
admet-28	388	17	in	in	ADP
admet-28	388	18	chemistry	chemistry	NOUN
admet-28	388	19	42	42	NUM
admet-28	388	20	(	(	PUNCT
admet-28	388	21	2004	2004	NUM
admet-28	388	22	)	)	PUNCT
admet-28	388	23	485	485	NUM
admet-28	388	24	-	-	SYM
admet-28	388	25	489	489	NUM
admet-28	388	26	.	.	PUNCT
admet-28	389	1	[	[	X
admet-28	389	2	10	10	NUM
admet-28	389	3	]	]	X
admet-28	389	4	l.v	l.v	PROPN
admet-28	389	5	.	.	PROPN
admet-28	389	6	elst	elst	PROPN
admet-28	389	7	,	,	PUNCT
admet-28	389	8	f.	f.	PROPN
admet-28	389	9	chapelle	chapelle	PROPN
admet-28	389	10	,	,	PUNCT
admet-28	389	11	s.	s.	PROPN
admet-28	389	12	laurent	laurent	PROPN
admet-28	389	13	,	,	PUNCT
admet-28	389	14	r.n	r.n	PROPN
admet-28	389	15	.	.	PROPN
admet-28	389	16	muller	muller	PROPN
admet-28	389	17	,	,	PUNCT
admet-28	389	18	journal	journal	NOUN
admet-28	389	19	of	of	ADP
admet-28	389	20	biological	biological	ADJ
admet-28	389	21	inorganic	inorganic	ADJ
admet-28	389	22	chemistry	chemistry	NOUN
admet-28	389	23	6	6	NUM
admet-28	389	24	(	(	PUNCT
admet-28	389	25	2001	2001	NUM
admet-28	389	26	)	)	PUNCT
admet-28	389	27	196200	196200	NUM
admet-28	389	28	.	.	PUNCT
admet-28	390	1	[	[	X
admet-28	390	2	11	11	NUM
admet-28	390	3	]	]	X
admet-28	390	4	l.v	l.v	PROPN
admet-28	390	5	.	.	PROPN
admet-28	390	6	elst	elst	PROPN
admet-28	390	7	,	,	PUNCT
admet-28	390	8	f.	f.	PROPN
admet-28	390	9	chapelle	chapelle	PROPN
admet-28	390	10	,	,	PUNCT
admet-28	390	11	s.	s.	PROPN
admet-28	390	12	laurent	laurent	PROPN
admet-28	390	13	,	,	PUNCT
admet-28	390	14	r.n	r.n	PROPN
admet-28	390	15	.	.	PROPN
admet-28	390	16	muller	muller	PROPN
admet-28	390	17	,	,	PUNCT
admet-28	390	18	journal	journal	NOUN
admet-28	390	19	of	of	ADP
admet-28	390	20	biological	biological	ADJ
admet-28	390	21	inorganic	inorganic	ADJ
admet-28	390	22	chemistry	chemistry	NOUN
admet-28	390	23	12	12	NUM
admet-28	390	24	(	(	PUNCT
admet-28	390	25	2007	2007	NUM
admet-28	390	26	)	)	PUNCT
admet-28	390	27	929	929	NUM
admet-28	390	28	-	-	SYM
admet-28	390	29	937	937	NUM
admet-28	390	30	.	.	PUNCT
admet-28	391	1	[	[	X
admet-28	391	2	12	12	NUM
admet-28	391	3	]	]	X
admet-28	391	4	h.	h.	PROPN
admet-28	391	5	aki	aki	PROPN
admet-28	391	6	,	,	PUNCT
admet-28	391	7	m.	m.	NOUN
admet-28	391	8	yamamoto	yamamoto	PROPN
admet-28	391	9	,	,	PUNCT
admet-28	391	10	journal	journal	NOUN
admet-28	391	11	of	of	ADP
admet-28	391	12	pharmaceutical	pharmaceutical	ADJ
admet-28	391	13	sciences	science	NOUN
admet-28	391	14	83	83	NUM
admet-28	391	15	(	(	PUNCT
admet-28	391	16	1994	1994	NUM
admet-28	391	17	)	)	PUNCT
admet-28	391	18	1712	1712	NUM
admet-28	391	19	-	-	SYM
admet-28	391	20	1716	1716	NUM
admet-28	391	21	.	.	PUNCT
admet-28	392	1	[	[	X
admet-28	392	2	13	13	NUM
admet-28	392	3	]	]	PUNCT
admet-28	392	4	a.	a.	NOUN
admet-28	392	5	sułkowska	sułkowska	PROPN
admet-28	392	6	,	,	PUNCT
admet-28	392	7	b.	b.	PROPN
admet-28	392	8	bojko	bojko	PROPN
admet-28	392	9	,	,	PUNCT
admet-28	392	10	j.	j.	PROPN
admet-28	392	11	równicka	równicka	PROPN
admet-28	392	12	,	,	PUNCT
admet-28	392	13	w.w	w.w	PROPN
admet-28	392	14	.	.	PROPN
admet-28	392	15	sułkowski	sułkowski	PROPN
admet-28	392	16	,	,	PUNCT
admet-28	392	17	journal	journal	NOUN
admet-28	392	18	of	of	ADP
admet-28	392	19	molecular	molecular	ADJ
admet-28	392	20	structure	structure	NOUN
admet-28	392	21	792	792	NUM
admet-28	392	22	-	-	SYM
admet-28	392	23	793	793	NUM
admet-28	392	24	(	(	PUNCT
admet-28	392	25	2006	2006	NUM
admet-28	392	26	)	)	PUNCT
admet-28	392	27	249	249	NUM
admet-28	392	28	-	-	SYM
admet-28	392	29	256	256	NUM
admet-28	392	30	.	.	PUNCT
admet-28	393	1	[	[	X
admet-28	393	2	14	14	NUM
admet-28	393	3	]	]	X
admet-28	393	4	f.	f.	PROPN
admet-28	393	5	cuia	cuia	PROPN
admet-28	393	6	,	,	PUNCT
admet-28	393	7	y.	y.	PROPN
admet-28	393	8	yana	yana	PROPN
admet-28	393	9	,	,	PUNCT
admet-28	393	10	q.	q.	PROPN
admet-28	393	11	zhanga	zhanga	PROPN
admet-28	393	12	,	,	PUNCT
admet-28	393	13	x.	x.	PROPN
admet-28	393	14	yaob	yaob	PROPN
admet-28	393	15	,	,	PUNCT
admet-28	393	16	g.	g.	PROPN
admet-28	393	17	qua	qua	PROPN
admet-28	393	18	,	,	PUNCT
admet-28	393	19	y.	y.	PROPN
admet-28	393	20	lua	lua	PROPN
admet-28	393	21	,	,	PUNCT
admet-28	393	22	spectrochimica	spectrochimica	PROPN
admet-28	393	23	acta	acta	PROPN
admet-28	393	24	part	part	NOUN
admet-28	393	25	a	a	PRON
admet-28	393	26	:	:	PUNCT
admet-28	393	27	molecular	molecular	ADJ
admet-28	393	28	and	and	CCONJ
admet-28	393	29	biomolecular	biomolecular	ADJ
admet-28	393	30	spectroscopy	spectroscopy	VERB
admet-28	393	31	74	74	NUM
admet-28	393	32	(	(	PUNCT
admet-28	393	33	2009	2009	NUM
admet-28	393	34	)	)	PUNCT
admet-28	393	35	964	964	NUM
admet-28	393	36	-	-	SYM
admet-28	393	37	971	971	NUM
admet-28	393	38	.	.	PUNCT
admet-28	394	1	[	[	X
admet-28	394	2	15	15	NUM
admet-28	394	3	]	]	X
admet-28	394	4	r.	r.	PROPN
admet-28	394	5	punith	punith	PROPN
admet-28	394	6	,	,	PUNCT
admet-28	394	7	a.	a.	NOUN
admet-28	394	8	hegde	hegde	PROPN
admet-28	394	9	,	,	PUNCT
admet-28	394	10	s.	s.	PROPN
admet-28	394	11	jaldappagari	jaldappagari	PROPN
admet-28	394	12	,	,	PUNCT
admet-28	394	13	journal	journal	NOUN
admet-28	394	14	of	of	ADP
admet-28	394	15	fluorescence	fluorescence	NOUN
admet-28	394	16	21	21	NUM
admet-28	394	17	(	(	PUNCT
admet-28	394	18	2011	2011	NUM
admet-28	394	19	)	)	PUNCT
admet-28	394	20	487	487	NUM
admet-28	394	21	-	-	SYM
admet-28	394	22	495	495	NUM
admet-28	394	23	.	.	PUNCT
admet-28	395	1	[	[	X
admet-28	395	2	16	16	NUM
admet-28	395	3	]	]	X
admet-28	395	4	a.c	a.c	PROPN
admet-28	395	5	.	.	PROPN
admet-28	395	6	krüger	krüger	PROPN
admet-28	395	7	,	,	PUNCT
admet-28	395	8	v.	v.	ADP
admet-28	395	9	birkedal	birkedal	ADJ
admet-28	395	10	,	,	PUNCT
admet-28	395	11	methods	method	NOUN
admet-28	395	12	,	,	PUNCT
admet-28	395	13	64	64	NUM
admet-28	395	14	(	(	PUNCT
admet-28	395	15	2013	2013	NUM
admet-28	395	16	)	)	PUNCT
admet-28	395	17	36	36	NUM
admet-28	395	18	-	-	SYM
admet-28	395	19	42	42	NUM
admet-28	395	20	.	.	PUNCT
admet-28	396	1	[	[	X
admet-28	396	2	17	17	NUM
admet-28	396	3	]	]	X
admet-28	396	4	r.f	r.f	PROPN
admet-28	396	5	.	.	PROPN
admet-28	396	6	chen	chen	PROPN
admet-28	396	7	,	,	PUNCT
admet-28	396	8	the	the	DET
admet-28	396	9	journal	journal	NOUN
admet-28	396	10	of	of	ADP
admet-28	396	11	biological	biological	ADJ
admet-28	396	12	chemistry	chemistry	NOUN
admet-28	396	13	242	242	NUM
admet-28	396	14	(	(	PUNCT
admet-28	396	15	1967	1967	NUM
admet-28	396	16	)	)	PUNCT
admet-28	396	17	173	173	NUM
admet-28	396	18	-	-	SYM
admet-28	396	19	181	181	NUM
admet-28	396	20	.	.	PUNCT
admet-28	397	1	[	[	X
admet-28	397	2	18	18	NUM
admet-28	397	3	]	]	X
admet-28	397	4	m.m	m.m	PROPN
admet-28	397	5	.	.	PROPN
admet-28	397	6	bradford	bradford	PROPN
admet-28	397	7	,	,	PUNCT
admet-28	397	8	analytical	analytical	ADJ
admet-28	397	9	biochemistry	biochemistry	NOUN
admet-28	397	10	72	72	NUM
admet-28	397	11	(	(	PUNCT
admet-28	397	12	1976	1976	NUM
admet-28	397	13	)	)	PUNCT
admet-28	397	14	248	248	NUM
admet-28	397	15	-	-	SYM
admet-28	397	16	254	254	NUM
admet-28	397	17	.	.	PUNCT
admet-28	398	1	[	[	X
admet-28	398	2	19	19	NUM
admet-28	398	3	]	]	X
admet-28	398	4	j.r	j.r	PROPN
admet-28	398	5	.	.	PROPN
admet-28	398	6	lakowicz	lakowicz	PROPN
admet-28	398	7	,	,	PUNCT
admet-28	398	8	principles	principle	NOUN
admet-28	398	9	of	of	ADP
admet-28	398	10	fluorescence	fluorescence	NOUN
admet-28	398	11	spectroscopy	spectroscopy	NOUN
admet-28	398	12	,	,	PUNCT
admet-28	398	13	third	third	ADJ
admet-28	398	14	ed	ed	NOUN
admet-28	398	15	.	.	PUNCT
admet-28	399	1	springer	springer	NOUN
admet-28	399	2	science	science	PROPN
admet-28	399	3	business	business	NOUN
admet-28	399	4	media	medium	NOUN
admet-28	399	5	,	,	PUNCT
admet-28	399	6	new	new	PROPN
admet-28	399	7	york	york	PROPN
admet-28	399	8	,	,	PUNCT
admet-28	399	9	usa	usa	PROPN
admet-28	399	10	,	,	PUNCT
admet-28	399	11	2006	2006	NUM
admet-28	399	12	.	.	PUNCT
admet-28	400	1	cvijetić	cvijetić	PROPN
admet-28	400	2	et.al	et.al	PROPN
admet-28	400	3	.	.	PUNCT
admet-28	401	1	admet	admet	PROPN
admet-28	401	2	&	&	CCONJ
admet-28	401	3	dmpk	dmpk	PROPN
admet-28	401	4	2(2	2(2	NUM
admet-28	401	5	)	)	PUNCT
admet-28	401	6	(	(	PUNCT
admet-28	401	7	2014	2014	NUM
admet-28	401	8	)	)	PUNCT
admet-28	401	9	126	126	NUM
admet-28	401	10	-	-	SYM
admet-28	401	11	142	142	NUM
admet-28	401	12	142	142	NUM
admet-28	401	13	[	[	X
admet-28	401	14	20	20	NUM
admet-28	401	15	]	]	PUNCT
admet-28	401	16	p.c.d	p.c.d	NOUN
admet-28	401	17	.	.	PUNCT
admet-28	402	1	hawkins	hawkins	PROPN
admet-28	402	2	,	,	PUNCT
admet-28	402	3	a.g	a.g	PROPN
admet-28	402	4	.	.	PROPN
admet-28	402	5	skillman	skillman	PROPN
admet-28	402	6	,	,	PUNCT
admet-28	402	7	g.l	g.l	PROPN
admet-28	402	8	.	.	PROPN
admet-28	402	9	warren	warren	PROPN
admet-28	402	10	,	,	PUNCT
admet-28	402	11	b.a	b.a	PROPN
admet-28	402	12	.	.	PROPN
admet-28	402	13	ellingson	ellingson	PROPN
admet-28	402	14	,	,	PUNCT
admet-28	402	15	m.t	m.t	PROPN
admet-28	402	16	.	.	PROPN
admet-28	402	17	stahl	stahl	PROPN
admet-28	402	18	,	,	PUNCT
admet-28	402	19	journal	journal	NOUN
admet-28	402	20	of	of	ADP
admet-28	402	21	chemical	chemical	ADJ
admet-28	402	22	information	information	NOUN
admet-28	402	23	and	and	CCONJ
admet-28	402	24	modeling	model	VERB
admet-28	402	25	50	50	NUM
admet-28	402	26	(	(	PUNCT
admet-28	402	27	2010	2010	NUM
admet-28	402	28	)	)	PUNCT
admet-28	402	29	572	572	NUM
admet-28	402	30	-	-	SYM
admet-28	402	31	584	584	NUM
admet-28	402	32	.	.	PUNCT
admet-28	403	1	[	[	X
admet-28	403	2	21	21	NUM
admet-28	403	3	]	]	PUNCT
admet-28	403	4	omega	omega	NOUN
admet-28	403	5	2.5.1.4	2.5.1.4	NUM
admet-28	403	6	:	:	PUNCT
admet-28	403	7	openeye	openeye	ADJ
admet-28	403	8	scientific	scientific	ADJ
admet-28	403	9	software	software	NOUN
admet-28	403	10	,	,	PUNCT
admet-28	403	11	santa	santa	PROPN
admet-28	403	12	fe	fe	PROPN
admet-28	403	13	,	,	PUNCT
admet-28	403	14	nm	nm	PROPN
admet-28	403	15	.	.	PUNCT
admet-28	403	16	http://www.eyesopen.com	http://www.eyesopen.com	PUNCT
admet-28	403	17	.	.	PUNCT
admet-28	404	1	[	[	X
admet-28	404	2	22	22	NUM
admet-28	404	3	]	]	X
admet-28	404	4	t.a	t.a	PROPN
admet-28	404	5	.	.	PROPN
admet-28	404	6	halgren	halgren	PROPN
admet-28	404	7	,	,	PUNCT
admet-28	404	8	journal	journal	NOUN
admet-28	404	9	of	of	ADP
admet-28	404	10	computational	computational	ADJ
admet-28	404	11	chemistry	chemistry	NOUN
admet-28	404	12	20	20	NUM
admet-28	404	13	(	(	PUNCT
admet-28	404	14	1999	1999	NUM
admet-28	404	15	)	)	PUNCT
admet-28	404	16	720	720	NUM
admet-28	404	17	-	-	SYM
admet-28	404	18	729	729	NUM
admet-28	404	19	.	.	PUNCT
admet-28	405	1	[	[	X
admet-28	405	2	23	23	NUM
admet-28	405	3	]	]	X
admet-28	405	4	j.j.p	j.j.p	PROPN
admet-28	405	5	.	.	PROPN
admet-28	405	6	stewart	stewart	PROPN
admet-28	405	7	,	,	PUNCT
admet-28	405	8	journal	journal	NOUN
admet-28	405	9	of	of	ADP
admet-28	405	10	computer	computer	NOUN
admet-28	405	11	-	-	PUNCT
admet-28	405	12	aided	aid	VERB
admet-28	405	13	molecular	molecular	ADJ
admet-28	405	14	design	design	NOUN
admet-28	405	15	4	4	NUM
admet-28	405	16	(	(	PUNCT
admet-28	405	17	1990	1990	NUM
admet-28	405	18	)	)	PUNCT
admet-28	405	19	1	1	NUM
admet-28	405	20	-	-	SYM
admet-28	405	21	105	105	NUM
admet-28	405	22	.	.	PUNCT
admet-28	406	1	[	[	X
admet-28	406	2	24	24	NUM
admet-28	406	3	]	]	SYM
admet-28	406	4	mopac2012	mopac2012	PROPN
admet-28	406	5	,	,	PUNCT
admet-28	406	6	j.j.p	j.j.p	PROPN
admet-28	406	7	.	.	PROPN
admet-28	406	8	stewart	stewart	PROPN
admet-28	406	9	,	,	PUNCT
admet-28	406	10	stewart	stewart	PROPN
admet-28	406	11	computational	computational	ADJ
admet-28	406	12	chemistry	chemistry	NOUN
admet-28	406	13	,	,	PUNCT
admet-28	406	14	colorado	colorado	PROPN
admet-28	406	15	springs	spring	NOUN
admet-28	406	16	,	,	PUNCT
admet-28	406	17	co	co	NOUN
admet-28	406	18	,	,	PUNCT
admet-28	406	19	usa	usa	PROPN
admet-28	406	20	,	,	PUNCT
admet-28	406	21	http://openmopac.net	http://openmopac.net	PROPN
admet-28	406	22	.	.	PUNCT
admet-28	407	1	[	[	X
admet-28	407	2	25	25	NUM
admet-28	407	3	]	]	PUNCT
admet-28	407	4	j.j.p	j.j.p	PROPN
admet-28	407	5	.	.	PROPN
admet-28	407	6	stewart	stewart	PROPN
admet-28	407	7	,	,	PUNCT
admet-28	407	8	journal	journal	NOUN
admet-28	407	9	of	of	ADP
admet-28	407	10	molecular	molecular	ADJ
admet-28	407	11	modeling	modeling	NOUN
admet-28	407	12	13	13	NUM
admet-28	407	13	(	(	PUNCT
admet-28	407	14	2007	2007	NUM
admet-28	407	15	)	)	PUNCT
admet-28	407	16	1173	1173	NUM
admet-28	407	17	-	-	SYM
admet-28	407	18	1213	1213	NUM
admet-28	407	19	.	.	PUNCT
admet-28	408	1	[	[	X
admet-28	408	2	26	26	NUM
admet-28	408	3	]	]	PUNCT
admet-28	408	4	a.	a.	NOUN
admet-28	408	5	pedretti	pedretti	PROPN
admet-28	408	6	,	,	PUNCT
admet-28	408	7	l.	l.	PROPN
admet-28	408	8	villa	villa	PROPN
admet-28	408	9	,	,	PUNCT
admet-28	408	10	g.	g.	PROPN
admet-28	408	11	vistoli	vistoli	PROPN
admet-28	408	12	,	,	PUNCT
admet-28	408	13	journal	journal	NOUN
admet-28	408	14	of	of	ADP
admet-28	408	15	computer	computer	NOUN
admet-28	408	16	-	-	PUNCT
admet-28	408	17	aided	aid	VERB
admet-28	408	18	molecular	molecular	ADJ
admet-28	408	19	design	design	NOUN
admet-28	408	20	18	18	NUM
admet-28	408	21	(	(	PUNCT
admet-28	408	22	2004	2004	NUM
admet-28	408	23	)	)	PUNCT
admet-28	408	24	167	167	NUM
admet-28	408	25	-	-	SYM
admet-28	408	26	173	173	NUM
admet-28	408	27	;	;	PUNCT
admet-28	408	28	vegazz	vegazz	NOUN
admet-28	408	29	3.0.1	3.0.1	NUM
admet-28	408	30	;	;	PUNCT
admet-28	408	31	http://www.ddl.unimi.it	http://www.ddl.unimi.it	PROPN
admet-28	408	32	.	.	PUNCT
admet-28	409	1	[	[	X
admet-28	409	2	27	27	NUM
admet-28	409	3	]	]	X
admet-28	409	4	o.	o.	PROPN
admet-28	409	5	trott	trott	PROPN
admet-28	409	6	,	,	PUNCT
admet-28	409	7	a.j	a.j	PROPN
admet-28	409	8	.	.	PROPN
admet-28	409	9	olson	olson	PROPN
admet-28	409	10	,	,	PUNCT
admet-28	409	11	journal	journal	NOUN
admet-28	409	12	of	of	ADP
admet-28	409	13	computational	computational	ADJ
admet-28	409	14	chemistry	chemistry	NOUN
admet-28	409	15	31	31	NUM
admet-28	409	16	(	(	PUNCT
admet-28	409	17	2010	2010	NUM
admet-28	409	18	)	)	PUNCT
admet-28	409	19	455	455	NUM
admet-28	409	20	-	-	SYM
admet-28	409	21	461	461	NUM
admet-28	409	22	;	;	PUNCT
admet-28	409	23	http://vina.scripps.edu/.	http://vina.scripps.edu/.	PROPN
admet-28	410	1	[	[	X
admet-28	410	2	28	28	NUM
admet-28	410	3	]	]	X
admet-28	410	4	s.	s.	PROPN
admet-28	410	5	curry	curry	PROPN
admet-28	410	6	,	,	PUNCT
admet-28	410	7	h.	h.	PROPN
admet-28	410	8	mandelkow	mandelkow	PROPN
admet-28	410	9	,	,	PUNCT
admet-28	410	10	p.	p.	NOUN
admet-28	410	11	brick	brick	NOUN
admet-28	410	12	,	,	PUNCT
admet-28	410	13	n.	n.	NOUN
admet-28	410	14	franks	frank	NOUN
admet-28	410	15	,	,	PUNCT
admet-28	410	16	nature	nature	NOUN
admet-28	410	17	structural	structural	ADJ
admet-28	410	18	biology	biology	NOUN
admet-28	410	19	5	5	NUM
admet-28	410	20	(	(	PUNCT
admet-28	410	21	1998	1998	NUM
admet-28	410	22	)	)	PUNCT
admet-28	410	23	827	827	NUM
admet-28	410	24	-	-	SYM
admet-28	410	25	835	835	NUM
admet-28	410	26	.	.	PUNCT
admet-28	411	1	[	[	X
admet-28	411	2	29	29	NUM
admet-28	411	3	]	]	PUNCT
admet-28	411	4	m.	m.	NOUN
admet-28	411	5	mcgann	mcgann	PROPN
admet-28	411	6	,	,	PUNCT
admet-28	411	7	journal	journal	NOUN
admet-28	411	8	of	of	ADP
admet-28	411	9	chemical	chemical	ADJ
admet-28	411	10	information	information	NOUN
admet-28	411	11	and	and	CCONJ
admet-28	411	12	modeling	model	VERB
admet-28	411	13	51	51	NUM
admet-28	411	14	(	(	PUNCT
admet-28	411	15	2011	2011	NUM
admet-28	411	16	)	)	PUNCT
admet-28	411	17	578	578	NUM
admet-28	411	18	-	-	SYM
admet-28	411	19	596	596	NUM
admet-28	411	20	.	.	PUNCT
admet-28	412	1	[	[	X
admet-28	412	2	30	30	NUM
admet-28	412	3	]	]	X
admet-28	412	4	g.b	g.b	PROPN
admet-28	412	5	.	.	PROPN
admet-28	412	6	mcgaughey	mcgaughey	PROPN
admet-28	412	7	,	,	PUNCT
admet-28	412	8	r.p	r.p	PROPN
admet-28	412	9	.	.	PROPN
admet-28	412	10	sheridan	sheridan	PROPN
admet-28	412	11	,	,	PUNCT
admet-28	412	12	c.i	c.i	PROPN
admet-28	412	13	.	.	PROPN
admet-28	412	14	bayly	bayly	PROPN
admet-28	412	15	,	,	PUNCT
admet-28	412	16	j.c	j.c	PROPN
admet-28	412	17	.	.	PROPN
admet-28	412	18	culberson	culberson	PROPN
admet-28	412	19	,	,	PUNCT
admet-28	412	20	c.	c.	PROPN
admet-28	412	21	kreatsolas	kreatsolas	PROPN
admet-28	412	22	,	,	PUNCT
admet-28	412	23	s.	s.	PROPN
admet-28	412	24	lindsley	lindsley	PROPN
admet-28	412	25	,	,	PUNCT
admet-28	412	26	v.	v.	ADP
admet-28	412	27	maiorov	maiorov	NOUN
admet-28	412	28	,	,	PUNCT
admet-28	412	29	j.-f	j.-f	NOUN
admet-28	412	30	.	.	PUNCT
admet-28	413	1	truchon	truchon	PROPN
admet-28	413	2	,	,	PUNCT
admet-28	413	3	w.d	w.d	PROPN
admet-28	413	4	.	.	PROPN
admet-28	413	5	cornell	cornell	PROPN
admet-28	413	6	,	,	PUNCT
admet-28	413	7	journal	journal	NOUN
admet-28	413	8	of	of	ADP
admet-28	413	9	chemical	chemical	ADJ
admet-28	413	10	information	information	NOUN
admet-28	413	11	and	and	CCONJ
admet-28	413	12	modeling	model	VERB
admet-28	413	13	47	47	NUM
admet-28	413	14	(	(	PUNCT
admet-28	413	15	2007	2007	NUM
admet-28	413	16	)	)	PUNCT
admet-28	413	17	1504	1504	NUM
admet-28	413	18	-	-	SYM
admet-28	413	19	1519	1519	NUM
admet-28	413	20	.	.	PUNCT
admet-28	414	1	[	[	X
admet-28	414	2	31	31	NUM
admet-28	414	3	]	]	X
admet-28	414	4	m.r	m.r	PROPN
admet-28	414	5	.	.	PROPN
admet-28	414	6	mcgann	mcgann	PROPN
admet-28	414	7	,	,	PUNCT
admet-28	414	8	h.r	h.r	PROPN
admet-28	414	9	.	.	PROPN
admet-28	414	10	almond	almond	PROPN
admet-28	414	11	,	,	PUNCT
admet-28	414	12	a.	a.	PROPN
admet-28	414	13	nicholls	nicholls	PROPN
admet-28	414	14	,	,	PUNCT
admet-28	414	15	j.a	j.a	PROPN
admet-28	414	16	.	.	PROPN
admet-28	414	17	grant	grant	PROPN
admet-28	414	18	,	,	PUNCT
admet-28	414	19	f.k	f.k	PROPN
admet-28	414	20	.	.	PROPN
admet-28	414	21	brown	brown	PROPN
admet-28	414	22	,	,	PUNCT
admet-28	414	23	biopolymers	biopolymer	NOUN
admet-28	414	24	68	68	NUM
admet-28	414	25	(	(	PUNCT
admet-28	414	26	2003	2003	NUM
admet-28	414	27	)	)	PUNCT
admet-28	414	28	76	76	NUM
admet-28	414	29	-	-	SYM
admet-28	414	30	90	90	NUM
admet-28	414	31	;	;	PUNCT
admet-28	414	32	oedocking	oedocke	VERB
admet-28	414	33	3.0.1	3.0.1	NUM
admet-28	414	34	:	:	PUNCT
admet-28	414	35	openeye	openeye	ADJ
admet-28	414	36	scientific	scientific	ADJ
admet-28	414	37	software	software	NOUN
admet-28	414	38	,	,	PUNCT
admet-28	414	39	santa	santa	PROPN
admet-28	414	40	fe	fe	PROPN
admet-28	414	41	,	,	PUNCT
admet-28	414	42	nm	nm	PROPN
admet-28	414	43	.	.	PUNCT
admet-28	414	44	http://www.eyesopen.com	http://www.eyesopen.com	X
admet-28	415	1	[	[	X
admet-28	415	2	32	32	NUM
admet-28	415	3	]	]	X
admet-28	415	4	j.c	j.c	PROPN
admet-28	415	5	.	.	PROPN
admet-28	415	6	phillips	phillips	PROPN
admet-28	415	7	,	,	PUNCT
admet-28	415	8	r.	r.	PROPN
admet-28	415	9	braun	braun	PROPN
admet-28	415	10	,	,	PUNCT
admet-28	415	11	w.	w.	PROPN
admet-28	415	12	wang	wang	PROPN
admet-28	415	13	,	,	PUNCT
admet-28	415	14	j.	j.	PROPN
admet-28	415	15	gumbart	gumbart	PROPN
admet-28	415	16	,	,	PUNCT
admet-28	415	17	e.	e.	PROPN
admet-28	415	18	tajkhorshid	tajkhorshid	PROPN
admet-28	415	19	,	,	PUNCT
admet-28	415	20	e.	e.	PROPN
admet-28	415	21	villa	villa	PROPN
admet-28	415	22	,	,	PUNCT
admet-28	415	23	c.	c.	PROPN
admet-28	415	24	chipot	chipot	PROPN
admet-28	415	25	,	,	PUNCT
admet-28	415	26	r.d	r.d	PROPN
admet-28	415	27	.	.	PROPN
admet-28	415	28	skeel	skeel	PROPN
admet-28	415	29	,	,	PUNCT
admet-28	415	30	l.	l.	PROPN
admet-28	415	31	kale	kale	PROPN
admet-28	415	32	,	,	PUNCT
admet-28	415	33	k.	k.	PROPN
admet-28	415	34	schulten	schulten	PROPN
admet-28	415	35	,	,	PUNCT
admet-28	415	36	journal	journal	NOUN
admet-28	415	37	of	of	ADP
admet-28	415	38	computational	computational	ADJ
admet-28	415	39	chemistry	chemistry	NOUN
admet-28	415	40	26	26	NUM
admet-28	415	41	(	(	PUNCT
admet-28	415	42	2005	2005	NUM
admet-28	415	43	)	)	PUNCT
admet-28	415	44	1781	1781	NUM
admet-28	415	45	-	-	SYM
admet-28	415	46	1802	1802	NUM
admet-28	415	47	;	;	PUNCT
admet-28	415	48	http://www.ks.uiuc.edu/research/namd/	http://www.ks.uiuc.edu/research/namd/	NOUN
admet-28	415	49	[	[	X
admet-28	415	50	33	33	NUM
admet-28	415	51	]	]	PUNCT
admet-28	415	52	e.	e.	PROPN
admet-28	415	53	atanassov	atanassov	PROPN
admet-28	415	54	,	,	PUNCT
admet-28	415	55	t.	t.	PROPN
admet-28	415	56	gurov	gurov	PROPN
admet-28	415	57	,	,	PUNCT
admet-28	415	58	a.	a.	PROPN
admet-28	415	59	karaivanova	karaivanova	PROPN
admet-28	415	60	,	,	PUNCT
admet-28	415	61	automatika	automatika	NOUN
admet-28	415	62	and	and	CCONJ
admet-28	415	63	informatika	informatika	PROPN
admet-28	415	64	2	2	NUM
admet-28	415	65	(	(	PUNCT
admet-28	415	66	2011	2011	NUM
admet-28	415	67	)	)	PUNCT
admet-28	415	68	7	7	NUM
admet-28	415	69	-	-	SYM
admet-28	415	70	11	11	NUM
admet-28	415	71	.	.	PUNCT
admet-28	416	1	[	[	X
admet-28	416	2	34	34	NUM
admet-28	416	3	]	]	X
admet-28	416	4	p.j	p.j	PROPN
admet-28	416	5	.	.	PROPN
admet-28	416	6	goodford	goodford	PROPN
admet-28	416	7	,	,	PUNCT
admet-28	416	8	journal	journal	NOUN
admet-28	416	9	of	of	ADP
admet-28	416	10	medicinal	medicinal	ADJ
admet-28	416	11	chemistry	chemistry	NOUN
admet-28	416	12	28	28	NUM
admet-28	416	13	(	(	PUNCT
admet-28	416	14	1985	1985	NUM
admet-28	416	15	)	)	PUNCT
admet-28	416	16	849	849	NUM
admet-28	416	17	-	-	SYM
admet-28	416	18	857	857	NUM
admet-28	416	19	;	;	PUNCT
admet-28	416	20	grid	grid	NOUN
admet-28	416	21	22c	22c	NOUN
admet-28	416	22	,	,	PUNCT
admet-28	416	23	http://www.moldiscovery.com/	http://www.moldiscovery.com/	NOUN
admet-28	416	24	[	[	X
admet-28	416	25	35	35	NUM
admet-28	416	26	]	]	PUNCT
admet-28	416	27	the	the	DET
admet-28	416	28	pymol	pymol	PROPN
admet-28	416	29	molecular	molecular	ADJ
admet-28	416	30	graphics	graphic	NOUN
admet-28	416	31	system	system	NOUN
admet-28	416	32	,	,	PUNCT
admet-28	416	33	version	version	NOUN
admet-28	416	34	0.99	0.99	NUM
admet-28	416	35	,	,	PUNCT
admet-28	416	36	schrödinger	schrödinger	NOUN
admet-28	416	37	,	,	PUNCT
admet-28	416	38	llc	llc	PROPN
admet-28	416	39	;	;	PUNCT
admet-28	416	40	http://www.pymol.org/	http://www.pymol.org/	X
admet-28	417	1	[	[	X
admet-28	417	2	36	36	NUM
admet-28	417	3	]	]	PUNCT
admet-28	417	4	m.	m.	NOUN
admet-28	417	5	amiri	amiri	PROPN
admet-28	417	6	,	,	PUNCT
admet-28	417	7	k.	k.	PROPN
admet-28	417	8	jankeje	jankeje	PROPN
admet-28	417	9	,	,	PUNCT
admet-28	417	10	j.r	j.r	PROPN
admet-28	417	11	.	.	PROPN
admet-28	417	12	albani	albani	PROPN
admet-28	417	13	,	,	PUNCT
admet-28	417	14	journal	journal	NOUN
admet-28	417	15	of	of	ADP
admet-28	417	16	fluorescence	fluorescence	NOUN
admet-28	417	17	20	20	NUM
admet-28	417	18	(	(	PUNCT
admet-28	417	19	2010	2010	NUM
admet-28	417	20	)	)	PUNCT
admet-28	417	21	651	651	NUM
admet-28	417	22	-	-	SYM
admet-28	417	23	656	656	NUM
admet-28	417	24	.	.	PUNCT
admet-28	418	1	[	[	X
admet-28	418	2	37	37	NUM
admet-28	418	3	]	]	X
admet-28	418	4	m.r	m.r	PROPN
admet-28	418	5	.	.	PROPN
admet-28	418	6	eftink	eftink	PROPN
admet-28	418	7	,	,	PUNCT
admet-28	418	8	c.a	c.a	PROPN
admet-28	418	9	.	.	PROPN
admet-28	418	10	ghiron	ghiron	PROPN
admet-28	418	11	,	,	PUNCT
admet-28	418	12	analytical	analytical	ADJ
admet-28	418	13	biochemistry	biochemistry	NOUN
admet-28	418	14	114	114	NUM
admet-28	418	15	(	(	PUNCT
admet-28	418	16	1981	1981	NUM
admet-28	418	17	)	)	PUNCT
admet-28	418	18	199	199	NUM
admet-28	418	19	-	-	SYM
admet-28	418	20	227	227	NUM
admet-28	418	21	.	.	PUNCT
admet-28	419	1	[	[	X
admet-28	419	2	38	38	NUM
admet-28	419	3	]	]	PUNCT
admet-28	419	4	m.h.m	m.h.m	NOUN
admet-28	419	5	.	.	PUNCT
admet-28	419	6	olsson	olsson	PROPN
admet-28	419	7	,	,	PUNCT
admet-28	419	8	c.r	c.r	PROPN
admet-28	419	9	.	.	PROPN
admet-28	419	10	søndergaard	søndergaard	PROPN
admet-28	419	11	,	,	PUNCT
admet-28	419	12	m.	m.	NOUN
admet-28	419	13	rostkowski	rostkowski	PROPN
admet-28	419	14	,	,	PUNCT
admet-28	419	15	j.h	j.h	PROPN
admet-28	419	16	.	.	PROPN
admet-28	419	17	jensen	jensen	PROPN
admet-28	419	18	,	,	PUNCT
admet-28	419	19	journal	journal	NOUN
admet-28	419	20	of	of	ADP
admet-28	419	21	chemical	chemical	PROPN
admet-28	419	22	theory	theory	NOUN
admet-28	419	23	and	and	CCONJ
admet-28	419	24	computation	computation	NOUN
admet-28	419	25	7	7	NUM
admet-28	419	26	(	(	PUNCT
admet-28	419	27	2011	2011	NUM
admet-28	419	28	)	)	PUNCT
admet-28	419	29	525	525	NUM
admet-28	419	30	-	-	SYM
admet-28	419	31	537	537	NUM
admet-28	419	32	.	.	PUNCT
admet-28	420	1	[	[	X
admet-28	420	2	39	39	NUM
admet-28	420	3	]	]	X
admet-28	420	4	a.j	a.j	PROPN
admet-28	420	5	.	.	PROPN
admet-28	420	6	ryan	ryan	PROPN
admet-28	420	7	,	,	PUNCT
admet-28	420	8	j.	j.	PROPN
admet-28	420	9	ghuman	ghuman	PROPN
admet-28	420	10	,	,	PUNCT
admet-28	420	11	p.a	p.a	PROPN
admet-28	420	12	.	.	PROPN
admet-28	420	13	zunszain	zunszain	PROPN
admet-28	420	14	,	,	PUNCT
admet-28	420	15	c.w	c.w	PROPN
admet-28	420	16	.	.	PROPN
admet-28	420	17	chung	chung	PROPN
admet-28	420	18	,	,	PUNCT
admet-28	420	19	s.	s.	PROPN
admet-28	420	20	curry	curry	PROPN
admet-28	420	21	,	,	PUNCT
admet-28	420	22	journal	journal	NOUN
admet-28	420	23	of	of	ADP
admet-28	420	24	structural	structural	ADJ
admet-28	420	25	biology	biology	NOUN
admet-28	420	26	174	174	NUM
admet-28	420	27	(	(	PUNCT
admet-28	420	28	2011	2011	NUM
admet-28	420	29	)	)	PUNCT
admet-28	420	30	84	84	NUM
admet-28	420	31	-	-	SYM
admet-28	420	32	91	91	NUM
admet-28	420	33	.	.	PUNCT
admet-28	421	1	[	[	X
admet-28	421	2	40	40	NUM
admet-28	421	3	]	]	PUNCT
admet-28	421	4	t.	t.	NOUN
admet-28	421	5	förster	förster	NOUN
admet-28	421	6	,	,	PUNCT
admet-28	421	7	annalen	annalen	ADJ
admet-28	421	8	der	der	NOUN
admet-28	421	9	physik	physik	PROPN
admet-28	421	10	437	437	NUM
admet-28	421	11	(	(	PUNCT
admet-28	421	12	1948	1948	NUM
admet-28	421	13	)	)	PUNCT
admet-28	421	14	55	55	NUM
admet-28	421	15	-	-	SYM
admet-28	421	16	75	75	NUM
admet-28	421	17	.	.	PUNCT
admet-28	422	1	[	[	X
admet-28	422	2	41	41	NUM
admet-28	422	3	]	]	X
admet-28	422	4	f.l	f.l	PROPN
admet-28	422	5	.	.	PROPN
admet-28	422	6	cui	cui	PROPN
admet-28	422	7	,	,	PUNCT
admet-28	422	8	j.	j.	PROPN
admet-28	422	9	fan	fan	PROPN
admet-28	422	10	,	,	PUNCT
admet-28	422	11	j.p	j.p	PROPN
admet-28	422	12	.	.	PROPN
admet-28	422	13	li	li	PROPN
admet-28	422	14	,	,	PUNCT
admet-28	422	15	z.d	z.d	PROPN
admet-28	422	16	.	.	PROPN
admet-28	422	17	hu	hu	PROPN
admet-28	422	18	,	,	PUNCT
admet-28	422	19	bioorganic	bioorganic	ADJ
admet-28	422	20	and	and	CCONJ
admet-28	422	21	medicinal	medicinal	ADJ
admet-28	422	22	chemistry	chemistry	NOUN
admet-28	422	23	12	12	NUM
admet-28	422	24	(	(	PUNCT
admet-28	422	25	2004	2004	NUM
admet-28	422	26	)	)	PUNCT
admet-28	422	27	151	151	NUM
admet-28	422	28	-	-	SYM
admet-28	422	29	157	157	NUM
admet-28	422	30	.	.	PUNCT
admet-28	423	1	©	©	PROPN
admet-28	423	2	2014	2014	NUM
admet-28	423	3	by	by	ADP
admet-28	423	4	the	the	DET
admet-28	423	5	authors	author	NOUN
admet-28	423	6	;	;	PUNCT
admet-28	423	7	licensee	licensee	PROPN
admet-28	423	8	iapc	iapc	PROPN
admet-28	423	9	,	,	PUNCT
admet-28	423	10	zagreb	zagreb	PROPN
admet-28	423	11	,	,	PUNCT
admet-28	423	12	croatia	croatia	PROPN
admet-28	423	13	.	.	PUNCT
admet-28	424	1	this	this	DET
admet-28	424	2	article	article	NOUN
admet-28	424	3	is	be	AUX
admet-28	424	4	an	an	DET
admet-28	424	5	open	open	ADJ
admet-28	424	6	-	-	PUNCT
admet-28	424	7	access	access	NOUN
admet-28	424	8	article	article	NOUN
admet-28	424	9	distributed	distribute	VERB
admet-28	424	10	under	under	ADP
admet-28	424	11	the	the	DET
admet-28	424	12	terms	term	NOUN
admet-28	424	13	and	and	CCONJ
admet-28	424	14	conditions	condition	NOUN
admet-28	424	15	of	of	ADP
admet-28	424	16	the	the	DET
admet-28	424	17	creative	creative	ADJ
admet-28	424	18	commons	common	NOUN
admet-28	424	19	attribution	attribution	NOUN
admet-28	424	20	license	license	NOUN
admet-28	424	21	(	(	PUNCT
admet-28	424	22	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN
admet-28	424	23	)	)	PUNCT
admet-28	424	24	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN