id	sid	tid	token	lemma	pos
admet-729	1	1	induced	induce	VERB
admet-729	1	2	fit	fit	NOUN
admet-729	1	3	for	for	ADP
admet-729	1	4	cytochrome	cytochrome	ADJ
admet-729	1	5	p450	p450	PROPN
admet-729	1	6	3a4	3a4	NUM
admet-729	1	7	based	base	VERB
admet-729	1	8	on	on	ADP
admet-729	1	9	molecular	molecular	ADJ
admet-729	1	10	dynamics	dynamic	NOUN
admet-729	1	11	doi	doi	NOUN
admet-729	1	12	:	:	PUNCT
admet-729	1	13	10.5599	10.5599	NUM
admet-729	1	14	/	/	SYM
admet-729	1	15	admet.729	admet.729	PROPN
admet-729	1	16	252	252	NUM
admet-729	1	17	admet	admet	X
admet-729	1	18	&	&	CCONJ
admet-729	1	19	dmpk	dmpk	PROPN
admet-729	1	20	7(4	7(4	NUM
admet-729	1	21	)	)	PUNCT
admet-729	1	22	(	(	PUNCT
admet-729	1	23	2019	2019	NUM
admet-729	1	24	)	)	PUNCT
admet-729	1	25	252	252	NUM
admet-729	1	26	-	-	SYM
admet-729	1	27	266	266	NUM
admet-729	1	28	;	;	PUNCT
admet-729	1	29	doi	doi	NOUN
admet-729	1	30	:	:	PUNCT
admet-729	1	31	http://dx.doi.org/10.5599/admet.729	http://dx.doi.org/10.5599/admet.729	ADJ
admet-729	1	32	open	open	ADJ
admet-729	1	33	access	access	NOUN
admet-729	1	34	:	:	PUNCT
admet-729	1	35	issn	issn	PROPN
admet-729	1	36	:	:	PUNCT
admet-729	1	37	1848	1848	NUM
admet-729	1	38	-	-	SYM
admet-729	1	39	7718	7718	NUM
admet-729	1	40	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-729	1	41	original	original	ADJ
admet-729	1	42	scientific	scientific	ADJ
admet-729	1	43	paper	paper	NOUN
admet-729	1	44	induced	induce	VERB
admet-729	1	45	fit	fit	NOUN
admet-729	1	46	for	for	ADP
admet-729	1	47	cytochrome	cytochrome	ADJ
admet-729	1	48	p450	p450	PROPN
admet-729	1	49	3a4	3a4	NUM
admet-729	1	50	based	base	VERB
admet-729	1	51	on	on	ADP
admet-729	1	52	molecular	molecular	ADJ
admet-729	1	53	dynamics	dynamic	NOUN
admet-729	1	54	israel	israel	PROPN
admet-729	1	55	quiroga1	quiroga1	PROPN
admet-729	1	56	,	,	PUNCT
admet-729	1	57	thomas	thomas	PROPN
admet-729	1	58	scior1	scior1	PROPN
admet-729	1	59	,	,	PUNCT
admet-729	1	60	*	*	SYM
admet-729	1	61	1	1	NUM
admet-729	1	62	faculty	faculty	NOUN
admet-729	1	63	of	of	ADP
admet-729	1	64	chemical	chemical	ADJ
admet-729	1	65	sciences	sciences	PROPN
admet-729	1	66	,	,	PUNCT
admet-729	1	67	benemérita	benemérita	PROPN
admet-729	1	68	universidad	universidad	PROPN
admet-729	1	69	autónoma	autónoma	PROPN
admet-729	1	70	de	de	PROPN
admet-729	1	71	puebla	puebla	X
admet-729	1	72	,	,	PUNCT
admet-729	1	73	puebla	puebla	NOUN
admet-729	1	74	,	,	PUNCT
admet-729	1	75	pue	pue	PROPN
admet-729	1	76	.	.	PROPN
admet-729	1	77	,	,	PUNCT
admet-729	1	78	mexico	mexico	PROPN
admet-729	1	79	*	*	PUNCT
admet-729	1	80	corresponding	correspond	VERB
admet-729	1	81	author	author	NOUN
admet-729	1	82	:	:	PUNCT
admet-729	1	83	dr	dr	PROPN
admet-729	1	84	.	.	PROPN
admet-729	1	85	thomas	thomas	PROPN
admet-729	1	86	scior	scior	PROPN
admet-729	1	87	,	,	PUNCT
admet-729	1	88	e	e	NOUN
admet-729	1	89	-	-	NOUN
admet-729	1	90	mail	mail	NOUN
admet-729	1	91	:	:	PUNCT
admet-729	1	92	tscior@gmail.com	tscior@gmail.com	X
admet-729	1	93	received	receive	VERB
admet-729	1	94	:	:	PUNCT
admet-729	1	95	september	september	PROPN
admet-729	1	96	20	20	NUM
admet-729	1	97	,	,	PUNCT
admet-729	1	98	2019	2019	NUM
admet-729	1	99	;	;	PUNCT
admet-729	1	100	revised	revise	VERB
admet-729	1	101	:	:	PUNCT
admet-729	1	102	november	november	PROPN
admet-729	1	103	19	19	NUM
admet-729	1	104	,	,	PUNCT
admet-729	1	105	2019	2019	NUM
admet-729	1	106	;	;	PUNCT
admet-729	1	107	published	publish	VERB
admet-729	1	108	:	:	PUNCT
admet-729	1	109	december	december	PROPN
admet-729	1	110	11	11	NUM
admet-729	1	111	,	,	PUNCT
admet-729	1	112	2019	2019	NUM
admet-729	1	113	abstract	abstract	NOUN
admet-729	1	114	the	the	DET
admet-729	1	115	present	present	ADJ
admet-729	1	116	study	study	NOUN
admet-729	1	117	aims	aim	VERB
admet-729	1	118	at	at	ADP
admet-729	1	119	numerically	numerically	ADV
admet-729	1	120	describing	describe	VERB
admet-729	1	121	to	to	ADP
admet-729	1	122	what	what	DET
admet-729	1	123	extent	extent	NOUN
admet-729	1	124	substrate	substrate	NOUN
admet-729	1	125	enzyme	enzyme	NOUN
admet-729	1	126	complexes	complex	NOUN
admet-729	1	127	in	in	ADP
admet-729	1	128	solution	solution	NOUN
admet-729	1	129	may	may	AUX
admet-729	1	130	change	change	VERB
admet-729	1	131	over	over	ADP
admet-729	1	132	time	time	NOUN
admet-729	1	133	as	as	ADP
admet-729	1	134	a	a	DET
admet-729	1	135	natural	natural	ADJ
admet-729	1	136	process	process	NOUN
admet-729	1	137	of	of	ADP
admet-729	1	138	conformational	conformational	ADJ
admet-729	1	139	changes	change	NOUN
admet-729	1	140	for	for	ADP
admet-729	1	141	a	a	DET
admet-729	1	142	liganded	ligande	VERB
admet-729	1	143	enzyme	enzyme	NOUN
admet-729	1	144	in	in	ADP
admet-729	1	145	comparison	comparison	NOUN
admet-729	1	146	to	to	ADP
admet-729	1	147	those	those	DET
admet-729	1	148	movements	movement	NOUN
admet-729	1	149	which	which	PRON
admet-729	1	150	occur	occur	VERB
admet-729	1	151	independently	independently	ADV
admet-729	1	152	from	from	ADP
admet-729	1	153	substrate	substrate	NOUN
admet-729	1	154	interaction	interaction	NOUN
admet-729	1	155	,	,	PUNCT
admet-729	1	156	i.e.	i.e.	X
admet-729	1	157	without	without	ADP
admet-729	1	158	a	a	DET
admet-729	1	159	ligand	ligand	NOUN
admet-729	1	160	.	.	PUNCT
admet-729	2	1	to	to	ADP
admet-729	2	2	this	this	DET
admet-729	2	3	end	end	NOUN
admet-729	2	4	,	,	PUNCT
admet-729	2	5	we	we	PRON
admet-729	2	6	selected	select	VERB
admet-729	2	7	structurally	structurally	ADV
admet-729	2	8	known	know	VERB
admet-729	2	9	pairs	pair	NOUN
admet-729	2	10	of	of	ADP
admet-729	2	11	liganded	ligande	VERB
admet-729	2	12	/	/	SYM
admet-729	2	13	unliganded	unligande	VERB
admet-729	2	14	cyp450	cyp450	NOUN
admet-729	2	15	3a4	3a4	NUM
admet-729	2	16	enzymes	enzyme	NOUN
admet-729	2	17	with	with	ADP
admet-729	2	18	different	different	ADJ
admet-729	2	19	geometries	geometry	NOUN
admet-729	2	20	hinting	hint	VERB
admet-729	2	21	at	at	ADP
admet-729	2	22	induced	induce	VERB
admet-729	2	23	fit	fit	ADJ
admet-729	2	24	events	event	NOUN
admet-729	2	25	.	.	PUNCT
admet-729	3	1	we	we	PRON
admet-729	3	2	carried	carry	VERB
admet-729	3	3	out	out	ADP
admet-729	3	4	molecular	molecular	ADJ
admet-729	3	5	dynamics	dynamic	NOUN
admet-729	3	6	simulations	simulation	NOUN
admet-729	3	7	(	(	PUNCT
admet-729	3	8	md	md	PROPN
admet-729	3	9	)	)	PUNCT
admet-729	3	10	comparing	compare	VERB
admet-729	3	11	the	the	DET
admet-729	3	12	trajectories	trajectory	NOUN
admet-729	3	13	in	in	ADP
admet-729	3	14	a	a	DET
admet-729	3	15	“	"	PUNCT
admet-729	3	16	cross	cross	NOUN
admet-729	3	17	-	-	ADJ
admet-729	3	18	over	over	ADJ
admet-729	3	19	”	"	PUNCT
admet-729	3	20	protocol	protocol	NOUN
admet-729	3	21	:	:	PUNCT
admet-729	3	22	(	(	PUNCT
admet-729	3	23	i	i	NOUN
admet-729	3	24	)	)	PUNCT
admet-729	3	25	we	we	PRON
admet-729	3	26	added	add	VERB
admet-729	3	27	the	the	DET
admet-729	3	28	ligand	ligand	NOUN
admet-729	3	29	to	to	ADP
admet-729	3	30	the	the	DET
admet-729	3	31	unliganded	unligande	VERB
admet-729	3	32	crystal	crystal	NOUN
admet-729	3	33	form	form	NOUN
admet-729	3	34	which	which	PRON
admet-729	3	35	should	should	AUX
admet-729	3	36	adopt	adopt	VERB
admet-729	3	37	geometries	geometry	NOUN
admet-729	3	38	similar	similar	ADJ
admet-729	3	39	to	to	ADP
admet-729	3	40	the	the	DET
admet-729	3	41	known	know	VERB
admet-729	3	42	geometry	geometry	NOUN
admet-729	3	43	of	of	ADP
admet-729	3	44	the	the	DET
admet-729	3	45	liganded	liganded	ADJ
admet-729	3	46	crystal	crystal	NOUN
admet-729	3	47	structure	structure	NOUN
admet-729	3	48	during	during	ADP
admet-729	3	49	md	md	PROPN
admet-729	3	50	,	,	PUNCT
admet-729	3	51	and	and	CCONJ
admet-729	3	52	–	–	PUNCT
admet-729	3	53	conversely	conversely	ADV
admet-729	3	54	–	–	PUNCT
admet-729	3	55	(	(	PUNCT
admet-729	3	56	ii	ii	NOUN
admet-729	3	57	)	)	PUNCT
admet-729	3	58	we	we	PRON
admet-729	3	59	removed	remove	VERB
admet-729	3	60	the	the	DET
admet-729	3	61	bound	bind	VERB
admet-729	3	62	ligand	ligand	NOUN
admet-729	3	63	form	form	VERB
admet-729	3	64	the	the	DET
admet-729	3	65	known	know	VERB
admet-729	3	66	liganded	liganded	ADJ
admet-729	3	67	complex	complex	NOUN
admet-729	3	68	to	to	PART
admet-729	3	69	test	test	VERB
admet-729	3	70	if	if	SCONJ
admet-729	3	71	a	a	DET
admet-729	3	72	geometry	geometry	NOUN
admet-729	3	73	similar	similar	ADJ
admet-729	3	74	to	to	ADP
admet-729	3	75	the	the	DET
admet-729	3	76	known	know	VERB
admet-729	3	77	unliganded	unligande	VERB
admet-729	3	78	(	(	PUNCT
admet-729	3	79	apo-	apo-	NOUN
admet-729	3	80	)	)	PUNCT
admet-729	3	81	form	form	NOUN
admet-729	3	82	can	can	AUX
admet-729	3	83	be	be	AUX
admet-729	3	84	adopted	adopt	VERB
admet-729	3	85	during	during	ADP
admet-729	3	86	md	md	PROPN
admet-729	3	87	.	.	PROPN
admet-729	4	1	to	to	PART
admet-729	4	2	compare	compare	VERB
admet-729	4	3	continues	continue	VERB
admet-729	4	4	changes	change	NOUN
admet-729	4	5	we	we	PRON
admet-729	4	6	measured	measure	VERB
admet-729	4	7	root	root	NOUN
admet-729	4	8	means	mean	VERB
admet-729	4	9	square	square	ADJ
admet-729	4	10	deviations	deviation	NOUN
admet-729	4	11	and	and	CCONJ
admet-729	4	12	frequencies	frequency	NOUN
admet-729	4	13	.	.	PUNCT
admet-729	5	1	results	result	NOUN
admet-729	5	2	for	for	ADP
admet-729	5	3	case	case	NOUN
admet-729	5	4	(	(	PUNCT
admet-729	5	5	i	i	NOUN
admet-729	5	6	)	)	PUNCT
admet-729	5	7	hint	hint	NOUN
admet-729	5	8	at	at	ADP
admet-729	5	9	larger	large	ADJ
admet-729	5	10	conformational	conformational	ADJ
admet-729	5	11	changes	change	NOUN
admet-729	5	12	required	require	VERB
admet-729	5	13	for	for	ADP
admet-729	5	14	accepting	accept	VERB
admet-729	5	15	the	the	DET
admet-729	5	16	substrate	substrate	NOUN
admet-729	5	17	during	during	ADP
admet-729	5	18	its	its	PRON
admet-729	5	19	approach	approach	NOUN
admet-729	5	20	to	to	ADP
admet-729	5	21	final	final	ADJ
admet-729	5	22	position	position	NOUN
admet-729	5	23	–	–	PUNCT
admet-729	5	24	in	in	ADP
admet-729	5	25	contrast	contrast	NOUN
admet-729	5	26	to	to	ADP
admet-729	5	27	case	case	NOUN
admet-729	5	28	(	(	PUNCT
admet-729	5	29	ii	ii	NOUN
admet-729	5	30	)	)	PUNCT
admet-729	5	31	when	when	SCONJ
admet-729	5	32	mobility	mobility	NOUN
admet-729	5	33	is	be	AUX
admet-729	5	34	fairly	fairly	ADV
admet-729	5	35	reduced	reduce	VERB
admet-729	5	36	by	by	ADP
admet-729	5	37	ligand	ligand	ADJ
admet-729	5	38	binding	bind	VERB
admet-729	5	39	(	(	PUNCT
admet-729	5	40	strain	strain	NOUN
admet-729	5	41	energy	energy	NOUN
admet-729	5	42	)	)	PUNCT
admet-729	5	43	.	.	PUNCT
admet-729	6	1	in	in	ADP
admet-729	6	2	conclusion	conclusion	NOUN
admet-729	6	3	,	,	PUNCT
admet-729	6	4	a	a	DET
admet-729	6	5	larger	large	ADJ
admet-729	6	6	conformational	conformational	ADJ
admet-729	6	7	sampling	sampling	NOUN
admet-729	6	8	prior	prior	ADV
admet-729	6	9	to	to	ADP
admet-729	6	10	ligand	ligand	NOUN
admet-729	6	11	binding	binding	NOUN
admet-729	6	12	and	and	CCONJ
admet-729	6	13	the	the	DET
admet-729	6	14	freezing	freezing	NOUN
admet-729	6	15	-	-	PUNCT
admet-729	6	16	in	in	ADP
admet-729	6	17	(	(	PUNCT
admet-729	6	18	rigidity	rigidity	NOUN
admet-729	6	19	)	)	PUNCT
admet-729	6	20	of	of	ADP
admet-729	6	21	conformations	conformation	NOUN
admet-729	6	22	for	for	ADP
admet-729	6	23	bound	bind	VERB
admet-729	6	24	ligands	ligand	NOUN
admet-729	6	25	can	can	AUX
admet-729	6	26	be	be	AUX
admet-729	6	27	interpreted	interpret	VERB
admet-729	6	28	as	as	ADP
admet-729	6	29	two	two	NUM
admet-729	6	30	conditions	condition	NOUN
admet-729	6	31	linked	link	VERB
admet-729	6	32	to	to	ADP
admet-729	6	33	induced	induced	ADJ
admet-729	6	34	-	-	PUNCT
admet-729	6	35	fit	fit	NOUN
admet-729	6	36	.	.	PUNCT
admet-729	7	1	keywords	keyword	VERB
admet-729	7	2	drug	drug	NOUN
admet-729	7	3	metabolism	metabolism	NOUN
admet-729	7	4	;	;	PUNCT
admet-729	7	5	cytochrome	cytochrome	NOUN
admet-729	7	6	p450	p450	NUM
admet-729	7	7	;	;	PUNCT
admet-729	7	8	cyp3a4	cyp3a4	NOUN
admet-729	7	9	;	;	PUNCT
admet-729	7	10	conformational	conformational	ADJ
admet-729	7	11	selection	selection	NOUN
admet-729	7	12	;	;	PUNCT
admet-729	7	13	substrate	substrate	NOUN
admet-729	7	14	selectivity	selectivity	NOUN
admet-729	7	15	;	;	PUNCT
admet-729	7	16	docking	docking	NOUN
admet-729	7	17	;	;	PUNCT
admet-729	7	18	rmsd	rmsd	NOUN
admet-729	7	19	,	,	PUNCT
admet-729	7	20	rmsf	rmsf	NOUN
admet-729	7	21	introduction	introduction	NOUN
admet-729	7	22	two	two	NUM
admet-729	7	23	major	major	ADJ
admet-729	7	24	tenets	tenet	NOUN
admet-729	7	25	have	have	AUX
admet-729	7	26	been	be	AUX
admet-729	7	27	established	establish	VERB
admet-729	7	28	in	in	ADP
admet-729	7	29	the	the	DET
admet-729	7	30	field	field	NOUN
admet-729	7	31	of	of	ADP
admet-729	7	32	admet	admet	PROPN
admet-729	7	33	research	research	NOUN
admet-729	7	34	worldwide	worldwide	ADV
admet-729	7	35	.	.	PUNCT
admet-729	8	1	on	on	ADP
admet-729	8	2	the	the	DET
admet-729	8	3	one	one	NUM
admet-729	8	4	hand	hand	NOUN
admet-729	8	5	,	,	PUNCT
admet-729	8	6	experimental	experimental	ADJ
admet-729	8	7	work	work	NOUN
admet-729	8	8	ever	ever	ADV
admet-729	8	9	since	since	ADV
admet-729	8	10	has	have	AUX
admet-729	8	11	laid	lay	VERB
admet-729	8	12	the	the	DET
admet-729	8	13	groundwork	groundwork	NOUN
admet-729	8	14	and	and	CCONJ
admet-729	8	15	much	much	ADJ
admet-729	8	16	of	of	ADP
admet-729	8	17	the	the	DET
admet-729	8	18	extant	extant	ADJ
admet-729	8	19	literature	literature	NOUN
admet-729	8	20	evidence	evidence	NOUN
admet-729	8	21	in	in	ADP
admet-729	8	22	the	the	DET
admet-729	8	23	field	field	NOUN
admet-729	8	24	has	have	AUX
admet-729	8	25	been	be	AUX
admet-729	8	26	gathered	gather	VERB
admet-729	8	27	by	by	ADP
admet-729	8	28	either	either	CCONJ
admet-729	8	29	clinical	clinical	ADJ
admet-729	8	30	studies	study	NOUN
admet-729	8	31	or	or	CCONJ
admet-729	8	32	in	in	ADP
admet-729	8	33	vivo	vivo	NOUN
admet-729	8	34	animal	animal	NOUN
admet-729	8	35	tests	test	NOUN
admet-729	8	36	.	.	PUNCT
admet-729	9	1	on	on	ADP
admet-729	9	2	the	the	DET
admet-729	9	3	other	other	ADJ
admet-729	9	4	hand	hand	NOUN
admet-729	9	5	,	,	PUNCT
admet-729	9	6	during	during	ADP
admet-729	9	7	the	the	DET
admet-729	9	8	last	last	ADJ
admet-729	9	9	three	three	NUM
admet-729	9	10	decades	decade	NOUN
admet-729	9	11	efforts	effort	NOUN
admet-729	9	12	have	have	AUX
admet-729	9	13	been	be	AUX
admet-729	9	14	undertaken	undertake	VERB
admet-729	9	15	to	to	PART
admet-729	9	16	reduce	reduce	VERB
admet-729	9	17	the	the	DET
admet-729	9	18	need	need	NOUN
admet-729	9	19	for	for	ADP
admet-729	9	20	animal	animal	NOUN
admet-729	9	21	tests	test	NOUN
admet-729	9	22	,	,	PUNCT
admet-729	9	23	applying	apply	VERB
admet-729	9	24	ex	ex	PRON
admet-729	9	25	vivo	vivo	NOUN
admet-729	9	26	or	or	CCONJ
admet-729	9	27	in	in	ADP
admet-729	9	28	vitro	vitro	X
admet-729	9	29	tests	test	NOUN
admet-729	9	30	(	(	PUNCT
admet-729	9	31	isolated	isolated	ADJ
admet-729	9	32	enzymes	enzyme	NOUN
admet-729	9	33	,	,	PUNCT
admet-729	9	34	cell	cell	NOUN
admet-729	9	35	-	-	PUNCT
admet-729	9	36	based	base	VERB
admet-729	9	37	,	,	PUNCT
admet-729	9	38	or	or	CCONJ
admet-729	9	39	living	living	NOUN
admet-729	9	40	tissues	tissue	NOUN
admet-729	9	41	,	,	PUNCT
admet-729	9	42	etc	etc	X
admet-729	9	43	.	.	X
admet-729	9	44	)	)	PUNCT
admet-729	9	45	in	in	ADP
admet-729	9	46	tandem	tandem	NOUN
admet-729	9	47	with	with	ADP
admet-729	9	48	in	in	ADP
admet-729	9	49	silico	silico	NOUN
admet-729	9	50	applications	application	NOUN
admet-729	9	51	of	of	ADP
admet-729	9	52	biophysical	biophysical	ADJ
admet-729	9	53	techniques	technique	NOUN
admet-729	9	54	in	in	ADP
admet-729	9	55	pharmacokinetics	pharmacokinetic	NOUN
admet-729	9	56	and	and	CCONJ
admet-729	9	57	drug	drug	NOUN
admet-729	9	58	toxicology	toxicology	NOUN
admet-729	9	59	.	.	PUNCT
admet-729	10	1	nowadays	nowadays	ADV
admet-729	10	2	both	both	DET
admet-729	10	3	tenets	tenet	VERB
admet-729	10	4	coexist	coexist	VERB
admet-729	10	5	in	in	ADP
admet-729	10	6	a	a	DET
admet-729	10	7	complementary	complementary	ADJ
admet-729	10	8	way	way	NOUN
admet-729	10	9	all	all	PRON
admet-729	10	10	of	of	ADP
admet-729	10	11	which	which	PRON
admet-729	10	12	is	be	AUX
admet-729	10	13	exemplified	exemplify	VERB
admet-729	10	14	by	by	ADP
admet-729	10	15	two	two	NUM
admet-729	10	16	recent	recent	ADJ
admet-729	10	17	drug	drug	NOUN
admet-729	10	18	inhibition	inhibition	NOUN
admet-729	10	19	studies	study	NOUN
admet-729	10	20	of	of	ADP
admet-729	10	21	cyp	cyp	ADJ
admet-729	10	22	targets	target	NOUN
admet-729	10	23	:	:	PUNCT
admet-729	10	24	(	(	PUNCT
admet-729	10	25	i	i	NOUN
admet-729	10	26	)	)	PUNCT
admet-729	10	27	animal	animal	NOUN
admet-729	10	28	tests	test	NOUN
admet-729	10	29	with	with	ADP
admet-729	10	30	repaglinide	repaglinide	NOUN
admet-729	10	31	and	and	CCONJ
admet-729	10	32	atazanavir	atazanavir	PRON
admet-729	11	1	[	[	X
admet-729	11	2	1	1	NUM
admet-729	11	3	]	]	PUNCT
admet-729	11	4	,	,	PUNCT
admet-729	11	5	and	and	CCONJ
admet-729	11	6	(	(	PUNCT
admet-729	11	7	ii	ii	NOUN
admet-729	11	8	)	)	PUNCT
admet-729	11	9	computed	compute	VERB
admet-729	11	10	inhibition	inhibition	NOUN
admet-729	11	11	models	model	NOUN
admet-729	11	12	with	with	ADP
admet-729	11	13	organosulfur	organosulfur	NOUN
admet-729	11	14	compounds	compound	NOUN
admet-729	11	15	[	[	X
admet-729	11	16	2	2	NUM
admet-729	11	17	]	]	PUNCT
admet-729	11	18	.	.	PUNCT
admet-729	12	1	cytochrome	cytochrome	NOUN
admet-729	12	2	p450	p450	PROPN
admet-729	12	3	(	(	PUNCT
admet-729	12	4	cyp450	cyp450	NOUN
admet-729	12	5	or	or	CCONJ
admet-729	12	6	cyp	cyp	ADJ
admet-729	12	7	for	for	ADP
admet-729	12	8	short	short	ADJ
admet-729	12	9	)	)	PUNCT
admet-729	12	10	belongs	belong	VERB
admet-729	12	11	to	to	ADP
admet-729	12	12	a	a	DET
admet-729	12	13	superfamily	superfamily	NOUN
admet-729	12	14	of	of	ADP
admet-729	12	15	monooxygenase	monooxygenase	NOUN
admet-729	12	16	enzymes	enzyme	NOUN
admet-729	12	17	that	that	PRON
admet-729	12	18	http://dx.doi.org/10.5599/admet.729	http://dx.doi.org/10.5599/admet.729	ADJ
admet-729	12	19	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-729	12	20	mailto:tscior@gmail.com	mailto:tscior@gmail.com	X
admet-729	12	21	admet	admet	PROPN
admet-729	12	22	&	&	CCONJ
admet-729	12	23	dmpk	dmpk	PROPN
admet-729	12	24	7(4	7(4	NUM
admet-729	12	25	)	)	PUNCT
admet-729	12	26	(	(	PUNCT
admet-729	12	27	2019	2019	NUM
admet-729	12	28	)	)	PUNCT
admet-729	12	29	252	252	NUM
admet-729	12	30	-	-	SYM
admet-729	12	31	266	266	NUM
admet-729	12	32	induced	induce	VERB
admet-729	12	33	fit	fit	NOUN
admet-729	12	34	of	of	ADP
admet-729	12	35	cyp3a4	cyp3a4	PROPN
admet-729	12	36	doi	doi	PROPN
admet-729	12	37	:	:	PUNCT
admet-729	12	38	10.5599	10.5599	NUM
admet-729	12	39	/	/	SYM
admet-729	12	40	admet.729	admet.729	ADJ
admet-729	12	41	253	253	NUM
admet-729	12	42	participate	participate	NOUN
admet-729	12	43	in	in	ADP
admet-729	12	44	the	the	DET
admet-729	12	45	pathway	pathway	NOUN
admet-729	12	46	of	of	ADP
admet-729	12	47	elimination	elimination	NOUN
admet-729	12	48	of	of	ADP
admet-729	12	49	xenobiotics	xenobiotic	NOUN
admet-729	12	50	,	,	PUNCT
admet-729	12	51	including	include	VERB
admet-729	12	52	drugs	drug	NOUN
admet-729	12	53	in	in	ADP
admet-729	12	54	humans	human	NOUN
admet-729	12	55	[	[	X
admet-729	12	56	3	3	NUM
admet-729	12	57	]	]	PUNCT
admet-729	12	58	.	.	PUNCT
admet-729	13	1	certain	certain	ADJ
admet-729	13	2	cyp	cyp	ADJ
admet-729	13	3	enzymes	enzyme	NOUN
admet-729	13	4	are	be	AUX
admet-729	13	5	capable	capable	ADJ
admet-729	13	6	of	of	ADP
admet-729	13	7	metabolizing	metabolize	VERB
admet-729	13	8	a	a	DET
admet-729	13	9	large	large	ADJ
admet-729	13	10	variety	variety	NOUN
admet-729	13	11	of	of	ADP
admet-729	13	12	substrates	substrate	NOUN
admet-729	13	13	of	of	ADP
admet-729	13	14	different	different	ADJ
admet-729	13	15	sizes	size	NOUN
admet-729	13	16	.	.	PUNCT
admet-729	14	1	they	they	PRON
admet-729	14	2	belong	belong	VERB
admet-729	14	3	to	to	ADP
admet-729	14	4	a	a	DET
admet-729	14	5	group	group	NOUN
admet-729	14	6	of	of	ADP
admet-729	14	7	proteins	protein	NOUN
admet-729	14	8	with	with	ADP
admet-729	14	9	structural	structural	ADJ
admet-729	14	10	flexibility	flexibility	NOUN
admet-729	14	11	in	in	ADP
admet-729	14	12	addition	addition	NOUN
admet-729	14	13	to	to	ADP
admet-729	14	14	a	a	DET
admet-729	14	15	huge	huge	ADJ
admet-729	14	16	cavity	cavity	NOUN
admet-729	14	17	at	at	ADP
admet-729	14	18	the	the	DET
admet-729	14	19	active	active	ADJ
admet-729	14	20	site	site	NOUN
admet-729	14	21	[	[	X
admet-729	14	22	4	4	NUM
admet-729	14	23	-	-	SYM
admet-729	14	24	8	8	NUM
admet-729	14	25	]	]	PUNCT
admet-729	14	26	.	.	PUNCT
admet-729	15	1	these	these	DET
admet-729	15	2	enzymes	enzyme	NOUN
admet-729	15	3	are	be	AUX
admet-729	15	4	capable	capable	ADJ
admet-729	15	5	of	of	ADP
admet-729	15	6	adopting	adopt	VERB
admet-729	15	7	different	different	ADJ
admet-729	15	8	conformations	conformation	NOUN
admet-729	15	9	,	,	PUNCT
admet-729	15	10	both	both	PRON
admet-729	15	11	in	in	ADP
admet-729	15	12	their	their	PRON
admet-729	15	13	main	main	ADJ
admet-729	15	14	chain	chain	NOUN
admet-729	15	15	and	and	CCONJ
admet-729	15	16	in	in	ADP
admet-729	15	17	their	their	PRON
admet-729	15	18	side	side	NOUN
admet-729	15	19	chains	chain	NOUN
admet-729	15	20	,	,	PUNCT
admet-729	15	21	which	which	PRON
admet-729	15	22	allows	allow	VERB
admet-729	15	23	the	the	DET
admet-729	15	24	metabolic	metabolic	NOUN
admet-729	15	25	activity	activity	NOUN
admet-729	15	26	to	to	PART
admet-729	15	27	be	be	AUX
admet-729	15	28	carried	carry	VERB
admet-729	15	29	out	out	ADP
admet-729	15	30	on	on	ADP
admet-729	15	31	their	their	PRON
admet-729	15	32	various	various	ADJ
admet-729	15	33	substrates	substrate	NOUN
admet-729	15	34	;	;	PUNCT
admet-729	15	35	a	a	DET
admet-729	15	36	phenomenon	phenomenon	NOUN
admet-729	15	37	that	that	SCONJ
admet-729	15	38	in	in	ADP
admet-729	15	39	enzymes	enzyme	NOUN
admet-729	15	40	is	be	AUX
admet-729	15	41	known	know	VERB
admet-729	15	42	as	as	ADP
admet-729	15	43	induced	induce	VERB
admet-729	15	44	fit	fit	NOUN
admet-729	15	45	.	.	PUNCT
admet-729	16	1	prior	prior	ADV
admet-729	16	2	to	to	ADP
admet-729	16	3	our	our	PRON
admet-729	16	4	present	present	ADJ
admet-729	16	5	work	work	NOUN
admet-729	16	6	,	,	PUNCT
admet-729	16	7	we	we	PRON
admet-729	16	8	laid	lay	VERB
admet-729	16	9	the	the	DET
admet-729	16	10	knowledge	knowledge	NOUN
admet-729	16	11	bases	basis	NOUN
admet-729	16	12	for	for	ADP
admet-729	16	13	induced	induced	ADJ
admet-729	16	14	fit	fit	ADJ
admet-729	16	15	and	and	CCONJ
admet-729	16	16	molecular	molecular	ADJ
admet-729	16	17	flexibility	flexibility	NOUN
admet-729	16	18	of	of	ADP
admet-729	16	19	cyp	cyp	ADJ
admet-729	16	20	and	and	CCONJ
admet-729	16	21	drugs	drug	NOUN
admet-729	16	22	in	in	ADP
admet-729	16	23	a	a	DET
admet-729	16	24	survey	survey	NOUN
admet-729	16	25	article	article	NOUN
admet-729	16	26	[	[	X
admet-729	16	27	9	9	NUM
admet-729	16	28	]	]	PUNCT
admet-729	16	29	.	.	PUNCT
admet-729	17	1	induced	induce	VERB
admet-729	17	2	fit	fit	ADJ
admet-729	17	3	describes	describe	VERB
admet-729	17	4	the	the	DET
admet-729	17	5	structural	structural	ADJ
admet-729	17	6	changes	change	NOUN
admet-729	17	7	upon	upon	SCONJ
admet-729	17	8	ligand	ligand	ADJ
admet-729	17	9	receptor	receptor	NOUN
admet-729	17	10	binding	bind	VERB
admet-729	17	11	.	.	PUNCT
admet-729	18	1	the	the	DET
admet-729	18	2	ligand	ligand	NOUN
admet-729	18	3	induces	induce	VERB
admet-729	18	4	these	these	DET
admet-729	18	5	changes	change	NOUN
admet-729	18	6	at	at	ADP
admet-729	18	7	the	the	DET
admet-729	18	8	binding	bind	VERB
admet-729	18	9	site	site	NOUN
admet-729	18	10	which	which	PRON
admet-729	18	11	normally	normally	ADV
admet-729	18	12	constitutes	constitute	VERB
admet-729	18	13	a	a	DET
admet-729	18	14	cavity	cavity	NOUN
admet-729	18	15	in	in	ADP
admet-729	18	16	form	form	NOUN
admet-729	18	17	of	of	ADP
admet-729	18	18	a	a	DET
admet-729	18	19	deep	deep	ADJ
admet-729	18	20	cleft	cleft	NOUN
admet-729	18	21	or	or	CCONJ
admet-729	18	22	a	a	DET
admet-729	18	23	shallow	shallow	ADJ
admet-729	18	24	surface	surface	NOUN
admet-729	18	25	depression	depression	NOUN
admet-729	18	26	.	.	PUNCT
admet-729	19	1	in	in	ADP
admet-729	19	2	our	our	PRON
admet-729	19	3	study	study	NOUN
admet-729	19	4	the	the	DET
admet-729	19	5	cyp	cyp	ADJ
admet-729	19	6	enzyme	enzyme	NOUN
admet-729	19	7	binds	bind	VERB
admet-729	19	8	its	its	PRON
admet-729	19	9	substrate	substrate	NOUN
admet-729	19	10	for	for	ADP
admet-729	19	11	biotransformation	biotransformation	NOUN
admet-729	19	12	,	,	PUNCT
admet-729	19	13	here	here	ADV
admet-729	19	14	a	a	DET
admet-729	19	15	drug	drug	NOUN
admet-729	19	16	.	.	PUNCT
admet-729	20	1	induced	induce	VERB
admet-729	20	2	fit	fit	NOUN
admet-729	20	3	also	also	ADV
admet-729	20	4	means	mean	VERB
admet-729	20	5	that	that	SCONJ
admet-729	20	6	the	the	DET
admet-729	20	7	geometry	geometry	NOUN
admet-729	20	8	of	of	ADP
admet-729	20	9	the	the	DET
admet-729	20	10	entrance	entrance	NOUN
admet-729	20	11	to	to	ADP
admet-729	20	12	the	the	DET
admet-729	20	13	binding	bind	VERB
admet-729	20	14	site	site	NOUN
admet-729	20	15	has	have	VERB
admet-729	20	16	a	a	DET
admet-729	20	17	direct	direct	ADJ
admet-729	20	18	impact	impact	NOUN
admet-729	20	19	on	on	ADP
admet-729	20	20	the	the	DET
admet-729	20	21	local	local	ADJ
admet-729	20	22	shape	shape	NOUN
admet-729	20	23	(	(	PUNCT
admet-729	20	24	so	so	ADV
admet-729	20	25	-	-	PUNCT
admet-729	20	26	called	call	VERB
admet-729	20	27	active	active	ADJ
admet-729	20	28	conformations	conformation	NOUN
admet-729	20	29	)	)	PUNCT
admet-729	20	30	of	of	ADP
admet-729	20	31	the	the	DET
admet-729	20	32	substrate	substrate	NOUN
admet-729	20	33	.	.	PUNCT
admet-729	21	1	this	this	DET
admet-729	21	2	matters	matter	NOUN
admet-729	21	3	in	in	ADP
admet-729	21	4	drug	drug	NOUN
admet-729	21	5	design	design	NOUN
admet-729	21	6	when	when	SCONJ
admet-729	21	7	only	only	ADV
admet-729	21	8	three	three	NUM
admet-729	21	9	-	-	PUNCT
admet-729	21	10	dimensional	dimensional	ADJ
admet-729	21	11	models	model	NOUN
admet-729	21	12	from	from	ADP
admet-729	21	13	free	free	ADJ
admet-729	21	14	ligands	ligand	NOUN
admet-729	21	15	(	(	PUNCT
admet-729	21	16	unbound	unbound	NOUN
admet-729	21	17	drugs	drug	NOUN
admet-729	21	18	)	)	PUNCT
admet-729	21	19	and	and	CCONJ
admet-729	21	20	receptors	receptor	NOUN
admet-729	21	21	(	(	PUNCT
admet-729	21	22	without	without	ADP
admet-729	21	23	ligands	ligand	NOUN
admet-729	21	24	)	)	PUNCT
admet-729	21	25	have	have	AUX
admet-729	21	26	been	be	AUX
admet-729	21	27	reported	report	VERB
admet-729	21	28	,	,	PUNCT
admet-729	21	29	but	but	CCONJ
admet-729	21	30	the	the	DET
admet-729	21	31	exact	exact	ADJ
admet-729	21	32	atom	atom	NOUN
admet-729	21	33	positions	position	NOUN
admet-729	21	34	of	of	ADP
admet-729	21	35	the	the	DET
admet-729	21	36	ligand	ligand	ADJ
admet-729	21	37	receptor	receptor	NOUN
admet-729	21	38	complex	complex	NOUN
admet-729	21	39	are	be	AUX
admet-729	21	40	necessary	necessary	ADJ
admet-729	21	41	to	to	PART
admet-729	21	42	understand	understand	VERB
admet-729	21	43	the	the	DET
admet-729	21	44	molecular	molecular	ADJ
admet-729	21	45	mechanism	mechanism	NOUN
admet-729	21	46	of	of	ADP
admet-729	21	47	action	action	NOUN
admet-729	21	48	to	to	PART
admet-729	21	49	design	design	VERB
admet-729	21	50	new	new	ADJ
admet-729	21	51	drugs	drug	NOUN
admet-729	21	52	.	.	PUNCT
admet-729	22	1	to	to	PART
admet-729	22	2	simulate	simulate	VERB
admet-729	22	3	the	the	DET
admet-729	22	4	effect	effect	NOUN
admet-729	22	5	that	that	SCONJ
admet-729	22	6	the	the	DET
admet-729	22	7	induced	induce	VERB
admet-729	22	8	fit	fit	NOUN
admet-729	22	9	has	have	AUX
admet-729	22	10	on	on	ADP
admet-729	22	11	the	the	DET
admet-729	22	12	cyp	cyp	ADJ
admet-729	22	13	activities	activity	NOUN
admet-729	22	14	in	in	ADP
admet-729	22	15	computational	computational	ADJ
admet-729	22	16	studies	study	NOUN
admet-729	22	17	is	be	AUX
admet-729	22	18	a	a	DET
admet-729	22	19	challenge	challenge	NOUN
admet-729	22	20	.	.	PUNCT
admet-729	23	1	albeit	albeit	SCONJ
admet-729	23	2	,	,	PUNCT
admet-729	23	3	some	some	DET
admet-729	23	4	biophysical	biophysical	ADJ
admet-729	23	5	techniques	technique	NOUN
admet-729	23	6	have	have	AUX
admet-729	23	7	been	be	AUX
admet-729	23	8	proposed	propose	VERB
admet-729	23	9	that	that	PRON
admet-729	23	10	would	would	AUX
admet-729	23	11	overcome	overcome	VERB
admet-729	23	12	the	the	DET
admet-729	23	13	difficulties	difficulty	NOUN
admet-729	23	14	to	to	PART
admet-729	23	15	simulate	simulate	VERB
admet-729	23	16	induced	induced	ADJ
admet-729	23	17	fit	fit	NOUN
admet-729	23	18	:	:	PUNCT
admet-729	23	19	(	(	PUNCT
admet-729	23	20	i	i	NOUN
admet-729	23	21	)	)	PUNCT
admet-729	23	22	"	"	PUNCT
admet-729	23	23	soft	soft	ADJ
admet-729	23	24	-	-	PUNCT
admet-729	23	25	docking	docking	NOUN
admet-729	23	26	"	"	PUNCT
admet-729	23	27	,	,	PUNCT
admet-729	23	28	is	be	AUX
admet-729	23	29	the	the	DET
admet-729	23	30	deliberate	deliberate	ADJ
admet-729	23	31	reduction	reduction	NOUN
admet-729	23	32	of	of	ADP
admet-729	23	33	repulsive	repulsive	ADJ
admet-729	23	34	forces	force	NOUN
admet-729	23	35	;	;	PUNCT
admet-729	23	36	(	(	PUNCT
admet-729	23	37	ii	ii	NOUN
admet-729	23	38	)	)	PUNCT
admet-729	23	39	the	the	DET
admet-729	23	40	management	management	NOUN
admet-729	23	41	of	of	ADP
admet-729	23	42	side	side	NOUN
admet-729	23	43	chain	chain	NOUN
admet-729	23	44	rotations	rotation	NOUN
admet-729	23	45	using	use	VERB
admet-729	23	46	rotamer	rotamer	NOUN
admet-729	23	47	libraries	library	NOUN
admet-729	23	48	;	;	PUNCT
admet-729	23	49	(	(	PUNCT
admet-729	23	50	iii	iii	X
admet-729	23	51	)	)	PUNCT
admet-729	23	52	multiple	multiple	ADJ
admet-729	23	53	structure	structure	NOUN
admet-729	23	54	modeling	modeling	NOUN
admet-729	23	55	that	that	PRON
admet-729	23	56	considers	consider	VERB
admet-729	23	57	the	the	DET
admet-729	23	58	use	use	NOUN
admet-729	23	59	of	of	ADP
admet-729	23	60	several	several	ADJ
admet-729	23	61	crystal	crystal	NOUN
admet-729	23	62	structures	structure	NOUN
admet-729	23	63	with	with	ADP
admet-729	23	64	different	different	ADJ
admet-729	23	65	conformations	conformation	NOUN
admet-729	23	66	of	of	ADP
admet-729	23	67	the	the	DET
admet-729	23	68	same	same	ADJ
admet-729	23	69	protein	protein	NOUN
admet-729	23	70	or	or	CCONJ
admet-729	23	71	related	relate	VERB
admet-729	23	72	isoforms	isoform	NOUN
admet-729	23	73	,	,	PUNCT
admet-729	23	74	or	or	CCONJ
admet-729	23	75	(	(	PUNCT
admet-729	23	76	iv	iv	X
admet-729	23	77	)	)	PUNCT
admet-729	23	78	molecular	molecular	ADJ
admet-729	23	79	dynamics	dynamic	NOUN
admet-729	23	80	(	(	PUNCT
admet-729	23	81	md	md	PROPN
admet-729	23	82	)	)	PUNCT
admet-729	23	83	calculations	calculation	NOUN
admet-729	23	84	and	and	CCONJ
admet-729	23	85	the	the	DET
admet-729	23	86	subsequent	subsequent	ADJ
admet-729	23	87	use	use	NOUN
admet-729	23	88	of	of	ADP
admet-729	23	89	docking	docking	NOUN
admet-729	23	90	in	in	ADP
admet-729	23	91	a	a	DET
admet-729	23	92	frame	frame	NOUN
admet-729	23	93	of	of	ADP
admet-729	23	94	the	the	DET
admet-729	23	95	md	md	PROPN
admet-729	23	96	simulation	simulation	NOUN
admet-729	23	97	that	that	PRON
admet-729	23	98	shows	show	VERB
admet-729	23	99	a	a	DET
admet-729	23	100	favorable	favorable	ADJ
admet-729	23	101	conformation	conformation	NOUN
admet-729	23	102	[	[	X
admet-729	23	103	10	10	NUM
admet-729	23	104	-	-	SYM
admet-729	23	105	12	12	NUM
admet-729	23	106	]	]	PUNCT
admet-729	23	107	.	.	PUNCT
admet-729	24	1	md	md	PROPN
admet-729	24	2	simulates	simulate	VERB
admet-729	24	3	the	the	DET
admet-729	24	4	structural	structural	ADJ
admet-729	24	5	flexibility	flexibility	NOUN
admet-729	24	6	of	of	ADP
admet-729	24	7	proteins	protein	NOUN
admet-729	24	8	as	as	ADV
admet-729	24	9	well	well	ADV
admet-729	24	10	as	as	ADP
admet-729	24	11	the	the	DET
admet-729	24	12	characteristics	characteristic	NOUN
admet-729	24	13	that	that	PRON
admet-729	24	14	kept	keep	VERB
admet-729	24	15	them	they	PRON
admet-729	24	16	stable	stable	ADJ
admet-729	24	17	.	.	PUNCT
admet-729	25	1	however	however	ADV
admet-729	25	2	,	,	PUNCT
admet-729	25	3	these	these	DET
admet-729	25	4	techniques	technique	NOUN
admet-729	25	5	are	be	AUX
admet-729	25	6	not	not	PART
admet-729	25	7	fool	fool	NOUN
admet-729	25	8	-	-	PUNCT
admet-729	25	9	proof	proof	NOUN
admet-729	25	10	and	and	CCONJ
admet-729	25	11	do	do	AUX
admet-729	25	12	not	not	PART
admet-729	25	13	guarantee	guarantee	VERB
admet-729	25	14	success	success	NOUN
admet-729	25	15	.	.	PUNCT
admet-729	26	1	in	in	ADP
admet-729	26	2	some	some	DET
admet-729	26	3	cases	case	NOUN
admet-729	26	4	,	,	PUNCT
admet-729	26	5	neither	neither	CCONJ
admet-729	26	6	crystal	crystal	NOUN
admet-729	26	7	structures	structure	NOUN
admet-729	26	8	are	be	AUX
admet-729	26	9	at	at	ADP
admet-729	26	10	hand	hand	NOUN
admet-729	26	11	nor	nor	CCONJ
admet-729	26	12	do	do	AUX
admet-729	26	13	rotamer	rotamer	NOUN
admet-729	26	14	libraries	library	NOUN
admet-729	26	15	provide	provide	VERB
admet-729	26	16	solutions	solution	NOUN
admet-729	26	17	to	to	PART
admet-729	26	18	model	model	VERB
admet-729	26	19	the	the	DET
admet-729	26	20	experimental	experimental	ADJ
admet-729	26	21	data	datum	NOUN
admet-729	26	22	.	.	PUNCT
admet-729	27	1	in	in	ADP
admet-729	27	2	the	the	DET
admet-729	27	3	context	context	NOUN
admet-729	27	4	of	of	ADP
admet-729	27	5	our	our	PRON
admet-729	27	6	study	study	NOUN
admet-729	27	7	hydroxylation	hydroxylation	NOUN
admet-729	27	8	patterns	pattern	NOUN
admet-729	27	9	,	,	PUNCT
admet-729	27	10	cyp	cyp	ADJ
admet-729	27	11	enzyme	enzyme	NOUN
admet-729	27	12	substrate	substrate	NOUN
admet-729	27	13	binding	bind	VERB
admet-729	27	14	specificities	specificity	NOUN
admet-729	27	15	,	,	PUNCT
admet-729	27	16	flexible	flexible	ADJ
admet-729	27	17	protein	protein	NOUN
admet-729	27	18	segments	segment	NOUN
admet-729	27	19	or	or	CCONJ
admet-729	27	20	thermodynamic	thermodynamic	ADJ
admet-729	27	21	properties	property	NOUN
admet-729	27	22	are	be	AUX
admet-729	27	23	amenable	amenable	ADJ
admet-729	27	24	to	to	ADP
admet-729	27	25	computer	computer	NOUN
admet-729	27	26	-	-	PUNCT
admet-729	27	27	aided	aid	VERB
admet-729	27	28	simulations	simulation	NOUN
admet-729	27	29	[	[	X
admet-729	27	30	13	13	NUM
admet-729	27	31	-	-	SYM
admet-729	27	32	17	17	NUM
admet-729	27	33	]	]	PUNCT
admet-729	27	34	.	.	PUNCT
admet-729	28	1	skopalik	skopalik	PROPN
admet-729	28	2	et	et	PROPN
admet-729	28	3	al	al	PROPN
admet-729	28	4	.	.	PROPN
admet-729	28	5	compared	compare	VERB
admet-729	28	6	the	the	DET
admet-729	28	7	flexibility	flexibility	NOUN
admet-729	28	8	patterns	pattern	NOUN
admet-729	28	9	of	of	ADP
admet-729	28	10	cyp3a4	cyp3a4	PROPN
admet-729	28	11	,	,	PUNCT
admet-729	28	12	cyp2c9	cyp2c9	NOUN
admet-729	28	13	and	and	CCONJ
admet-729	28	14	cyp2a6	cyp2a6	NOUN
admet-729	29	1	[	[	X
admet-729	29	2	14	14	NUM
admet-729	29	3	]	]	PUNCT
admet-729	29	4	.	.	PUNCT
admet-729	30	1	the	the	DET
admet-729	30	2	researchers	researcher	NOUN
admet-729	30	3	identified	identify	VERB
admet-729	30	4	flexible	flexible	ADJ
admet-729	30	5	loops	loop	NOUN
admet-729	30	6	adjacent	adjacent	ADJ
admet-729	30	7	to	to	ADP
admet-729	30	8	the	the	DET
admet-729	30	9	active	active	ADJ
admet-729	30	10	sites	site	NOUN
admet-729	30	11	,	,	PUNCT
admet-729	30	12	e.g.	e.g.	ADV
admet-729	30	13	b	b	X
admet-729	30	14	-	-	PUNCT
admet-729	30	15	c	c	NOUN
admet-729	30	16	loop	loop	NOUN
admet-729	30	17	in	in	ADP
admet-729	30	18	cyp2c9	cyp2c9	NOUN
admet-729	30	19	or	or	CCONJ
admet-729	30	20	f	f	NOUN
admet-729	30	21	-	-	PUNCT
admet-729	30	22	g	g	PROPN
admet-729	30	23	loop	loop	NOUN
admet-729	30	24	in	in	ADP
admet-729	30	25	cyp3a4	cyp3a4	PROPN
admet-729	30	26	(	(	PUNCT
admet-729	30	27	figure	figure	NOUN
admet-729	30	28	1	1	NUM
admet-729	30	29	)	)	PUNCT
admet-729	30	30	.	.	PUNCT
admet-729	31	1	moreover	moreover	ADV
admet-729	31	2	,	,	PUNCT
admet-729	31	3	chang	chang	PROPN
admet-729	31	4	et	et	PROPN
admet-729	31	5	al	al	PROPN
admet-729	31	6	.	.	PROPN
admet-729	31	7	found	find	VERB
admet-729	31	8	that	that	SCONJ
admet-729	31	9	salt	salt	NOUN
admet-729	31	10	bridges	bridge	NOUN
admet-729	31	11	,	,	PUNCT
admet-729	31	12	aliphatic	aliphatic	ADJ
admet-729	31	13	and	and	CCONJ
admet-729	31	14	aromatic	aromatic	ADJ
admet-729	31	15	interactions	interaction	NOUN
admet-729	31	16	between	between	ADP
admet-729	31	17	secondary	secondary	ADJ
admet-729	31	18	structures	structure	NOUN
admet-729	31	19	of	of	ADP
admet-729	31	20	cyps	cyps	PROPN
admet-729	31	21	maintain	maintain	VERB
admet-729	31	22	their	their	PRON
admet-729	31	23	initial	initial	ADJ
admet-729	31	24	conformations	conformation	NOUN
admet-729	31	25	[	[	X
admet-729	31	26	18	18	NUM
admet-729	31	27	]	]	PUNCT
admet-729	31	28	.	.	PUNCT
admet-729	32	1	in	in	ADP
admet-729	32	2	2009	2009	NUM
admet-729	32	3	seifert	seifert	NOUN
admet-729	32	4	and	and	CCONJ
admet-729	32	5	pleiss	pleiss	PROPN
admet-729	32	6	published	publish	VERB
admet-729	32	7	a	a	DET
admet-729	32	8	study	study	NOUN
admet-729	32	9	on	on	ADP
admet-729	32	10	substrate	substrate	NOUN
admet-729	32	11	specificities	specificity	NOUN
admet-729	32	12	of	of	ADP
admet-729	32	13	cyp	cyp	ADJ
admet-729	32	14	[	[	X
admet-729	32	15	5	5	NUM
admet-729	32	16	]	]	PUNCT
admet-729	32	17	.	.	PUNCT
admet-729	33	1	they	they	PRON
admet-729	33	2	reasoned	reason	VERB
admet-729	33	3	that	that	SCONJ
admet-729	33	4	the	the	DET
admet-729	33	5	sites	site	NOUN
admet-729	33	6	of	of	ADP
admet-729	33	7	metabolism	metabolism	NOUN
admet-729	33	8	(	(	PUNCT
admet-729	33	9	som	som	NOUN
admet-729	33	10	)	)	PUNCT
admet-729	33	11	,	,	PUNCT
admet-729	33	12	i.e.	i.e.	X
admet-729	33	13	which	which	DET
admet-729	33	14	ligand	ligand	NOUN
admet-729	33	15	atoms	atom	NOUN
admet-729	33	16	could	could	AUX
admet-729	33	17	be	be	AUX
admet-729	33	18	hydroxylated	hydroxylate	VERB
admet-729	33	19	,	,	PUNCT
admet-729	33	20	correspond	correspond	VERB
admet-729	33	21	tightly	tightly	ADV
admet-729	33	22	to	to	ADP
admet-729	33	23	the	the	DET
admet-729	33	24	conformational	conformational	ADJ
admet-729	33	25	changes	change	NOUN
admet-729	33	26	at	at	ADP
admet-729	33	27	the	the	DET
admet-729	33	28	active	active	ADJ
admet-729	33	29	sites	site	NOUN
admet-729	33	30	.	.	PUNCT
admet-729	34	1	as	as	SCONJ
admet-729	34	2	a	a	DET
admet-729	34	3	most	most	ADV
admet-729	34	4	valuable	valuable	ADJ
admet-729	34	5	asset	asset	NOUN
admet-729	34	6	,	,	PUNCT
admet-729	34	7	predicting	predict	VERB
admet-729	34	8	products	product	NOUN
admet-729	34	9	and	and	CCONJ
admet-729	34	10	som	som	NOUN
admet-729	34	11	for	for	ADP
admet-729	34	12	drugs	drug	NOUN
admet-729	34	13	by	by	ADP
admet-729	34	14	cyp	cyp	ADJ
admet-729	34	15	enzymes	enzyme	NOUN
admet-729	34	16	was	be	AUX
admet-729	34	17	found	find	VERB
admet-729	34	18	amenable	amenable	ADJ
admet-729	34	19	to	to	ADP
admet-729	34	20	in	in	ADP
admet-729	34	21	-	-	PUNCT
admet-729	34	22	silico	silico	NOUN
admet-729	34	23	approaches	approach	NOUN
admet-729	34	24	[	[	X
admet-729	34	25	15	15	NUM
admet-729	34	26	]	]	PUNCT
admet-729	34	27	.	.	PUNCT
admet-729	35	1	in	in	ADP
admet-729	35	2	this	this	DET
admet-729	35	3	context	context	NOUN
admet-729	35	4	we	we	PRON
admet-729	35	5	also	also	ADV
admet-729	35	6	explored	explore	VERB
admet-729	35	7	the	the	DET
admet-729	35	8	som	som	NOUN
admet-729	35	9	of	of	ADP
admet-729	35	10	certain	certain	ADJ
admet-729	35	11	cyp	cyp	ADJ
admet-729	35	12	substrates	substrate	NOUN
admet-729	35	13	applying	apply	VERB
admet-729	35	14	ligand	ligand	NOUN
admet-729	35	15	docking	docking	NOUN
admet-729	35	16	and	and	CCONJ
admet-729	35	17	molecular	molecular	ADJ
admet-729	35	18	dynamics	dynamic	NOUN
admet-729	35	19	techniques	technique	NOUN
admet-729	35	20	[	[	X
admet-729	35	21	19,20	19,20	X
admet-729	35	22	]	]	PUNCT
admet-729	35	23	.	.	PUNCT
admet-729	36	1	crystallography	crystallography	NOUN
admet-729	36	2	does	do	AUX
admet-729	36	3	not	not	PART
admet-729	36	4	always	always	ADV
admet-729	36	5	provide	provide	VERB
admet-729	36	6	evidence	evidence	NOUN
admet-729	36	7	for	for	ADP
admet-729	36	8	main	main	ADJ
admet-729	36	9	or	or	CCONJ
admet-729	36	10	side	side	NOUN
admet-729	36	11	chain	chain	NOUN
admet-729	36	12	movements	movement	NOUN
admet-729	36	13	since	since	SCONJ
admet-729	36	14	structure	structure	NOUN
admet-729	36	15	elucidation	elucidation	NOUN
admet-729	36	16	is	be	AUX
admet-729	36	17	carried	carry	VERB
admet-729	36	18	out	out	ADP
admet-729	36	19	under	under	ADP
admet-729	36	20	solid	solid	ADJ
admet-729	36	21	phase	phase	NOUN
admet-729	36	22	package	package	NOUN
admet-729	36	23	forces	force	NOUN
admet-729	36	24	at	at	ADP
admet-729	36	25	very	very	ADV
admet-729	36	26	low	low	ADJ
admet-729	36	27	temperatures	temperature	NOUN
admet-729	36	28	and	and	CCONJ
admet-729	36	29	under	under	ADP
admet-729	36	30	destructive	destructive	ADJ
admet-729	36	31	x	x	ADJ
admet-729	36	32	-	-	NOUN
admet-729	36	33	ray	ray	NOUN
admet-729	36	34	exposure	exposure	NOUN
admet-729	36	35	of	of	ADP
admet-729	36	36	the	the	DET
admet-729	36	37	crystal	crystal	NOUN
admet-729	36	38	probes	probe	NOUN
admet-729	36	39	.	.	PUNCT
admet-729	37	1	other	other	ADJ
admet-729	37	2	model	model	NOUN
admet-729	37	3	limitations	limitation	NOUN
admet-729	37	4	are	be	AUX
admet-729	37	5	known	know	VERB
admet-729	37	6	as	as	SCONJ
admet-729	37	7	follows	follow	VERB
admet-729	37	8	:	:	PUNCT
admet-729	37	9	(	(	PUNCT
admet-729	37	10	i	i	NOUN
admet-729	37	11	)	)	PUNCT
admet-729	37	12	substrate	substrate	NOUN
admet-729	37	13	size	size	NOUN
admet-729	37	14	and	and	CCONJ
admet-729	37	15	adaptive	adaptive	ADJ
admet-729	37	16	volume	volume	NOUN
admet-729	37	17	of	of	ADP
admet-729	37	18	its	its	PRON
admet-729	37	19	cavity	cavity	NOUN
admet-729	37	20	;	;	PUNCT
admet-729	37	21	(	(	PUNCT
admet-729	37	22	ii	ii	NOUN
admet-729	37	23	)	)	PUNCT
admet-729	37	24	resolution	resolution	NOUN
admet-729	37	25	of	of	ADP
admet-729	37	26	the	the	DET
admet-729	37	27	crystallographic	crystallographic	ADJ
admet-729	37	28	image	image	NOUN
admet-729	37	29	;	;	PUNCT
admet-729	37	30	(	(	PUNCT
admet-729	37	31	iii	iii	X
admet-729	37	32	)	)	PUNCT
admet-729	37	33	crystallographic	crystallographic	ADJ
admet-729	37	34	structure	structure	NOUN
admet-729	37	35	optimization	optimization	NOUN
admet-729	37	36	and	and	CCONJ
admet-729	37	37	modeling	modeling	NOUN
admet-729	37	38	to	to	PART
admet-729	37	39	predict	predict	VERB
admet-729	37	40	geometries	geometry	NOUN
admet-729	37	41	for	for	ADP
admet-729	37	42	unresolved	unresolved	ADJ
admet-729	37	43	(	(	PUNCT
admet-729	37	44	highly	highly	ADV
admet-729	37	45	flexible	flexible	ADJ
admet-729	37	46	)	)	PUNCT
admet-729	37	47	areas	area	NOUN
admet-729	37	48	;	;	PUNCT
admet-729	37	49	or	or	CCONJ
admet-729	37	50	(	(	PUNCT
admet-729	37	51	iv	iv	X
admet-729	37	52	)	)	PUNCT
admet-729	37	53	3d	3d	NOUN
admet-729	37	54	templates	template	NOUN
admet-729	37	55	for	for	ADP
admet-729	37	56	homology	homology	NOUN
admet-729	37	57	modeling	modeling	NOUN
admet-729	37	58	of	of	ADP
admet-729	37	59	unknown	unknown	ADJ
admet-729	37	60	target	target	NOUN
admet-729	37	61	structures	structure	NOUN
admet-729	37	62	[	[	X
admet-729	37	63	21	21	NUM
admet-729	37	64	-	-	SYM
admet-729	37	65	23	23	NUM
admet-729	37	66	]	]	PUNCT
admet-729	37	67	.	.	PUNCT
admet-729	38	1	quiroga	quiroga	PROPN
admet-729	38	2	and	and	CCONJ
admet-729	38	3	scior	scior	PROPN
admet-729	38	4	admet	admet	PROPN
admet-729	38	5	&	&	CCONJ
admet-729	38	6	dmpk	dmpk	PROPN
admet-729	38	7	7(4	7(4	NUM
admet-729	38	8	)	)	PUNCT
admet-729	38	9	(	(	PUNCT
admet-729	38	10	2019	2019	NUM
admet-729	38	11	)	)	PUNCT
admet-729	38	12	252	252	NUM
admet-729	38	13	-	-	SYM
admet-729	38	14	266	266	NUM
admet-729	38	15	254	254	NUM
admet-729	38	16	and	and	CCONJ
admet-729	38	17	even	even	ADV
admet-729	38	18	point	point	VERB
admet-729	38	19	mutations	mutation	NOUN
admet-729	38	20	further	far	ADV
admet-729	38	21	away	away	ADV
admet-729	38	22	from	from	ADP
admet-729	38	23	the	the	DET
admet-729	38	24	active	active	ADJ
admet-729	38	25	sites	site	NOUN
admet-729	38	26	could	could	AUX
admet-729	38	27	alter	alter	VERB
admet-729	38	28	the	the	DET
admet-729	38	29	overall	overall	ADJ
admet-729	38	30	three	three	NUM
admet-729	38	31	-	-	PUNCT
admet-729	38	32	dimensional	dimensional	ADJ
admet-729	38	33	geometries	geometry	NOUN
admet-729	38	34	–	–	PUNCT
admet-729	38	35	and	and	CCONJ
admet-729	38	36	subsequently	subsequently	ADV
admet-729	38	37	affect	affect	VERB
admet-729	38	38	the	the	DET
admet-729	38	39	way	way	NOUN
admet-729	38	40	of	of	ADP
admet-729	38	41	how	how	SCONJ
admet-729	38	42	cyp	cyp	ADJ
admet-729	38	43	enzymes	enzyme	NOUN
admet-729	38	44	interact	interact	VERB
admet-729	38	45	with	with	ADP
admet-729	38	46	their	their	PRON
admet-729	38	47	substrates	substrate	NOUN
admet-729	38	48	[	[	X
admet-729	38	49	24,25	24,25	NUM
admet-729	38	50	]	]	PUNCT
admet-729	38	51	.	.	PUNCT
admet-729	39	1	figure	figure	NOUN
admet-729	39	2	1	1	NUM
admet-729	39	3	.	.	PUNCT
admet-729	39	4	display	display	NOUN
admet-729	39	5	of	of	ADP
admet-729	39	6	human	human	ADJ
admet-729	39	7	enzyme	enzyme	NOUN
admet-729	39	8	cyp3a4	cyp3a4	NOUN
admet-729	39	9	.	.	PUNCT
admet-729	40	1	the	the	DET
admet-729	40	2	three	three	NUM
admet-729	40	3	-	-	PUNCT
admet-729	40	4	dimensional	dimensional	ADJ
admet-729	40	5	model	model	NOUN
admet-729	40	6	is	be	AUX
admet-729	40	7	centered	center	VERB
admet-729	40	8	on	on	ADP
admet-729	40	9	the	the	DET
admet-729	40	10	active	active	ADJ
admet-729	40	11	site	site	NOUN
admet-729	40	12	with	with	ADP
admet-729	40	13	the	the	DET
admet-729	40	14	heme	heme	NOUN
admet-729	40	15	group	group	NOUN
admet-729	40	16	with	with	ADP
admet-729	40	17	central	central	ADJ
admet-729	40	18	atom	atom	NOUN
admet-729	40	19	fe	fe	X
admet-729	40	20	(	(	PUNCT
admet-729	40	21	brown	brown	PROPN
admet-729	40	22	)	)	PUNCT
admet-729	40	23	.	.	PUNCT
admet-729	41	1	the	the	DET
admet-729	41	2	segments	segment	NOUN
admet-729	41	3	are	be	AUX
admet-729	41	4	labeled	label	VERB
admet-729	41	5	by	by	ADP
admet-729	41	6	letters	letter	NOUN
admet-729	41	7	from	from	ADP
admet-729	41	8	a	a	PRON
admet-729	41	9	to	to	ADP
admet-729	41	10	l	l	NOUN
admet-729	41	11	following	follow	VERB
admet-729	41	12	the	the	DET
admet-729	41	13	sequence	sequence	NOUN
admet-729	41	14	from	from	ADP
admet-729	41	15	nto	nto	PROPN
admet-729	41	16	c	c	NOUN
admet-729	41	17	-	-	PUNCT
admet-729	41	18	term	term	NOUN
admet-729	41	19	.	.	PUNCT
admet-729	42	1	the	the	DET
admet-729	42	2	red	red	ADJ
admet-729	42	3	color	color	NOUN
admet-729	42	4	marks	mark	VERB
admet-729	42	5	the	the	DET
admet-729	42	6	f	f	PROPN
admet-729	42	7	-	-	PUNCT
admet-729	42	8	g	g	PROPN
admet-729	42	9	loop	loop	NOUN
admet-729	42	10	with	with	ADP
admet-729	42	11	its	its	PRON
admet-729	42	12	f’-f	f’-f	ADJ
admet-729	42	13	’’	’'	PUNCT
admet-729	42	14	segment	segment	NOUN
admet-729	42	15	.	.	PUNCT
admet-729	43	1	it	it	PRON
admet-729	43	2	was	be	AUX
admet-729	43	3	reported	report	VERB
admet-729	43	4	to	to	PART
admet-729	43	5	undergo	undergo	VERB
admet-729	43	6	conformational	conformational	ADJ
admet-729	43	7	changes	change	NOUN
admet-729	43	8	upon	upon	SCONJ
admet-729	43	9	ligand	ligand	NOUN
admet-729	43	10	binding	bind	VERB
admet-729	43	11	[	[	X
admet-729	43	12	14	14	NUM
admet-729	43	13	]	]	PUNCT
admet-729	43	14	.	.	PUNCT
admet-729	44	1	on	on	ADP
admet-729	44	2	the	the	DET
admet-729	44	3	other	other	ADJ
admet-729	44	4	hand	hand	NOUN
admet-729	44	5	,	,	PUNCT
admet-729	44	6	lampe	lampe	NOUN
admet-729	44	7	and	and	CCONJ
admet-729	44	8	colleagues	colleague	NOUN
admet-729	44	9	of	of	ADP
admet-729	44	10	the	the	DET
admet-729	44	11	group	group	NOUN
admet-729	44	12	of	of	ADP
admet-729	44	13	ortiz	ortiz	PROPN
admet-729	44	14	de	de	PROPN
admet-729	44	15	montellano	montellano	PROPN
admet-729	44	16	studied	study	VERB
admet-729	44	17	the	the	DET
admet-729	44	18	conformational	conformational	ADJ
admet-729	44	19	changes	change	NOUN
admet-729	44	20	of	of	ADP
admet-729	44	21	liganded	ligande	VERB
admet-729	44	22	and	and	CCONJ
admet-729	44	23	unliganded	unligande	VERB
admet-729	44	24	cyp119	cyp119	PROPN
admet-729	44	25	combining	combine	VERB
admet-729	44	26	nmr	nmr	NOUN
admet-729	44	27	and	and	CCONJ
admet-729	44	28	md	md	PROPN
admet-729	44	29	techniques	technique	NOUN
admet-729	44	30	[	[	X
admet-729	44	31	26	26	NUM
admet-729	44	32	]	]	PUNCT
admet-729	44	33	.	.	PUNCT
admet-729	45	1	the	the	DET
admet-729	45	2	group	group	NOUN
admet-729	45	3	found	find	VERB
admet-729	45	4	that	that	SCONJ
admet-729	45	5	weak	weak	ADJ
admet-729	45	6	binders	binder	NOUN
admet-729	45	7	to	to	ADP
admet-729	45	8	the	the	DET
admet-729	45	9	active	active	ADJ
admet-729	45	10	site	site	NOUN
admet-729	45	11	allow	allow	VERB
admet-729	45	12	the	the	DET
admet-729	45	13	complex	complex	NOUN
admet-729	45	14	to	to	PART
admet-729	45	15	move	move	VERB
admet-729	45	16	more	more	ADJ
admet-729	45	17	than	than	ADP
admet-729	45	18	when	when	SCONJ
admet-729	45	19	stronger	strong	ADJ
admet-729	45	20	binders	binder	NOUN
admet-729	45	21	occupied	occupy	VERB
admet-729	45	22	the	the	DET
admet-729	45	23	cavity	cavity	NOUN
admet-729	45	24	at	at	ADP
admet-729	45	25	the	the	DET
admet-729	45	26	active	active	ADJ
admet-729	45	27	site	site	NOUN
admet-729	45	28	.	.	PUNCT
admet-729	46	1	the	the	DET
admet-729	46	2	authors	author	NOUN
admet-729	46	3	conclude	conclude	VERB
admet-729	46	4	that	that	DET
admet-729	46	5	substrate	substrate	NOUN
admet-729	46	6	recognition	recognition	NOUN
admet-729	46	7	and	and	CCONJ
admet-729	46	8	binding	bind	VERB
admet-729	46	9	could	could	AUX
admet-729	46	10	be	be	AUX
admet-729	46	11	more	more	ADJ
admet-729	46	12	a	a	DET
admet-729	46	13	matter	matter	NOUN
admet-729	46	14	of	of	ADP
admet-729	46	15	conformational	conformational	ADJ
admet-729	46	16	selection	selection	NOUN
admet-729	46	17	than	than	ADP
admet-729	46	18	a	a	DET
admet-729	46	19	defined	define	VERB
admet-729	46	20	induced	induce	VERB
admet-729	46	21	fit	fit	NOUN
admet-729	46	22	which	which	PRON
admet-729	46	23	could	could	AUX
admet-729	46	24	be	be	AUX
admet-729	46	25	described	describe	VERB
admet-729	46	26	as	as	ADP
admet-729	46	27	the	the	DET
admet-729	46	28	induction	induction	NOUN
admet-729	46	29	of	of	ADP
admet-729	46	30	a	a	DET
admet-729	46	31	distinct	distinct	ADJ
admet-729	46	32	conformational	conformational	ADJ
admet-729	46	33	change	change	NOUN
admet-729	46	34	in	in	ADP
admet-729	46	35	the	the	DET
admet-729	46	36	receptor	receptor	NOUN
admet-729	46	37	in	in	ADP
admet-729	46	38	the	the	DET
admet-729	46	39	presence	presence	NOUN
admet-729	46	40	of	of	ADP
admet-729	46	41	a	a	DET
admet-729	46	42	ligand	ligand	NOUN
admet-729	46	43	.	.	PUNCT
admet-729	47	1	in	in	ADP
admet-729	47	2	the	the	DET
admet-729	47	3	case	case	NOUN
admet-729	47	4	of	of	ADP
admet-729	47	5	substrate	substrate	NOUN
admet-729	47	6	cyp	cyp	ADJ
admet-729	47	7	complexes	complex	NOUN
admet-729	47	8	the	the	DET
admet-729	47	9	substrate	substrate	NOUN
admet-729	47	10	occupies	occupy	VERB
admet-729	47	11	the	the	DET
admet-729	47	12	cavity	cavity	NOUN
admet-729	47	13	at	at	ADP
admet-729	47	14	the	the	DET
admet-729	47	15	heme	heme	NOUN
admet-729	47	16	site	site	NOUN
admet-729	47	17	in	in	ADP
admet-729	47	18	a	a	DET
admet-729	47	19	favorable	favorable	ADJ
admet-729	47	20	orientation	orientation	NOUN
admet-729	47	21	for	for	ADP
admet-729	47	22	its	its	PRON
admet-729	47	23	subsequent	subsequent	ADJ
admet-729	47	24	biotransformation	biotransformation	NOUN
admet-729	47	25	.	.	PUNCT
admet-729	48	1	recently	recently	ADV
admet-729	48	2	,	,	PUNCT
admet-729	48	3	we	we	PRON
admet-729	48	4	examined	examine	VERB
admet-729	48	5	the	the	DET
admet-729	48	6	details	detail	NOUN
admet-729	48	7	of	of	ADP
admet-729	48	8	the	the	DET
admet-729	48	9	p450	p450	PROPN
admet-729	48	10	catalytic	catalytic	ADJ
admet-729	48	11	cycle	cycle	NOUN
admet-729	48	12	elsewhere	elsewhere	ADV
admet-729	48	13	[	[	X
admet-729	48	14	9	9	NUM
admet-729	48	15	]	]	PUNCT
admet-729	48	16	.	.	PUNCT
admet-729	49	1	it	it	PRON
admet-729	49	2	is	be	AUX
admet-729	49	3	noteworthy	noteworthy	ADJ
admet-729	49	4	to	to	PART
admet-729	49	5	underscore	underscore	VERB
admet-729	49	6	that	that	SCONJ
admet-729	49	7	the	the	DET
admet-729	49	8	aforementioned	aforementioned	ADJ
admet-729	49	9	reports	report	NOUN
admet-729	49	10	[	[	X
admet-729	49	11	4	4	NUM
admet-729	49	12	-	-	NUM
admet-729	49	13	8,10	8,10	NUM
admet-729	49	14	-	-	SYM
admet-729	49	15	17	17	NUM
admet-729	49	16	]	]	PUNCT
admet-729	49	17	do	do	AUX
admet-729	49	18	not	not	PART
admet-729	49	19	undertake	undertake	VERB
admet-729	49	20	numeric	numeric	ADJ
admet-729	49	21	measurements	measurement	NOUN
admet-729	49	22	to	to	PART
admet-729	49	23	reproduce	reproduce	VERB
admet-729	49	24	the	the	DET
admet-729	49	25	displacement	displacement	NOUN
admet-729	49	26	of	of	ADP
admet-729	49	27	initial	initial	ADJ
admet-729	49	28	atom	atom	NOUN
admet-729	49	29	positions	position	NOUN
admet-729	49	30	during	during	ADP
admet-729	49	31	md	md	PROPN
admet-729	49	32	production	production	NOUN
admet-729	49	33	runs	run	NOUN
admet-729	49	34	.	.	PUNCT
admet-729	50	1	root	root	NOUN
admet-729	50	2	means	mean	VERB
admet-729	50	3	square	square	ADJ
admet-729	50	4	deviations	deviation	NOUN
admet-729	50	5	of	of	ADP
admet-729	50	6	atom	atom	NOUN
admet-729	50	7	positions	position	NOUN
admet-729	50	8	in	in	ADP
admet-729	50	9	space	space	NOUN
admet-729	50	10	(	(	PUNCT
admet-729	50	11	rmsd	rmsd	VERB
admet-729	50	12	for	for	ADP
admet-729	50	13	short	short	ADJ
admet-729	50	14	)	)	PUNCT
admet-729	50	15	can	can	AUX
admet-729	50	16	be	be	AUX
admet-729	50	17	used	use	VERB
admet-729	50	18	to	to	PART
admet-729	50	19	numerically	numerically	ADV
admet-729	50	20	reflect	reflect	VERB
admet-729	50	21	atom	atom	NOUN
admet-729	50	22	movements	movement	NOUN
admet-729	50	23	during	during	ADP
admet-729	50	24	a	a	DET
admet-729	50	25	period	period	NOUN
admet-729	50	26	of	of	ADP
admet-729	50	27	time	time	NOUN
admet-729	50	28	in	in	ADP
admet-729	50	29	an	an	DET
admet-729	50	30	md	md	PROPN
admet-729	50	31	simulation	simulation	NOUN
admet-729	50	32	when	when	SCONJ
admet-729	50	33	following	follow	VERB
admet-729	50	34	selected	select	VERB
admet-729	50	35	atoms	atom	NOUN
admet-729	50	36	.	.	PUNCT
admet-729	51	1	a	a	DET
admet-729	51	2	larger	large	ADJ
admet-729	51	3	rmsd	rmsd	NOUN
admet-729	51	4	value	value	NOUN
admet-729	51	5	(	(	PUNCT
admet-729	51	6	typically	typically	ADV
admet-729	51	7	4	4	NUM
admet-729	51	8	to	to	PART
admet-729	51	9	6	6	NUM
admet-729	51	10	or	or	CCONJ
admet-729	51	11	7	7	NUM
admet-729	51	12	)	)	PUNCT
admet-729	51	13	indicates	indicate	VERB
admet-729	51	14	that	that	SCONJ
admet-729	51	15	protein	protein	NOUN
admet-729	51	16	structures	structure	NOUN
admet-729	51	17	have	have	AUX
admet-729	51	18	moved	move	VERB
admet-729	51	19	more	more	ADV
admet-729	51	20	freely	freely	ADV
admet-729	51	21	and	and	CCONJ
admet-729	51	22	have	have	AUX
admet-729	51	23	suffered	suffer	VERB
admet-729	51	24	larger	large	ADJ
admet-729	51	25	geometrical	geometrical	ADJ
admet-729	51	26	shifts	shift	NOUN
admet-729	51	27	[	[	X
admet-729	51	28	27	27	NUM
admet-729	51	29	]	]	PUNCT
admet-729	51	30	.	.	PUNCT
admet-729	52	1	rmsd	rmsd	PROPN
admet-729	52	2	comparison	comparison	NOUN
admet-729	52	3	for	for	ADP
admet-729	52	4	structural	structural	ADJ
admet-729	52	5	deviations	deviation	NOUN
admet-729	52	6	against	against	ADP
admet-729	52	7	a	a	DET
admet-729	52	8	template	template	NOUN
admet-729	52	9	,	,	PUNCT
admet-729	52	10	however	however	ADV
admet-729	52	11	,	,	PUNCT
admet-729	52	12	is	be	AUX
admet-729	52	13	not	not	PART
admet-729	52	14	fool	fool	NOUN
admet-729	52	15	-	-	PUNCT
admet-729	52	16	proof	proof	NOUN
admet-729	52	17	and	and	CCONJ
admet-729	52	18	other	other	ADJ
admet-729	52	19	distance	distance	NOUN
admet-729	52	20	measurements	measurement	NOUN
admet-729	52	21	have	have	AUX
admet-729	52	22	been	be	AUX
admet-729	52	23	proposed	propose	VERB
admet-729	52	24	[	[	X
admet-729	52	25	28	28	NUM
admet-729	52	26	]	]	PUNCT
admet-729	52	27	.	.	PUNCT
admet-729	53	1	in	in	ADP
admet-729	53	2	particular	particular	ADJ
admet-729	53	3	,	,	PUNCT
admet-729	53	4	global	global	ADJ
admet-729	53	5	rmsd	rmsd	NOUN
admet-729	53	6	measurements	measurement	NOUN
admet-729	53	7	may	may	AUX
admet-729	53	8	reflect	reflect	VERB
admet-729	53	9	changes	change	NOUN
admet-729	53	10	in	in	ADP
admet-729	53	11	irrelevant	irrelevant	ADJ
admet-729	53	12	parts	part	NOUN
admet-729	53	13	and	and	CCONJ
admet-729	53	14	not	not	PART
admet-729	53	15	just	just	ADV
admet-729	53	16	at	at	ADP
admet-729	53	17	the	the	DET
admet-729	53	18	center	center	NOUN
admet-729	53	19	of	of	ADP
admet-729	53	20	interest	interest	NOUN
admet-729	53	21	;	;	PUNCT
admet-729	53	22	for	for	ADP
admet-729	53	23	instance	instance	NOUN
admet-729	53	24	,	,	PUNCT
admet-729	53	25	the	the	DET
admet-729	53	26	movements	movement	NOUN
admet-729	53	27	may	may	AUX
admet-729	53	28	occur	occur	VERB
admet-729	53	29	more	more	ADV
admet-729	53	30	around	around	ADP
admet-729	53	31	the	the	DET
admet-729	53	32	active	active	ADJ
admet-729	53	33	site	site	NOUN
admet-729	53	34	.	.	PUNCT
admet-729	54	1	to	to	PART
admet-729	54	2	circumvent	circumvent	VERB
admet-729	54	3	such	such	ADJ
admet-729	54	4	drawbacks	drawback	NOUN
admet-729	54	5	,	,	PUNCT
admet-729	54	6	any	any	DET
admet-729	54	7	movement	movement	NOUN
admet-729	54	8	was	be	AUX
admet-729	54	9	under	under	ADP
admet-729	54	10	scrutiny	scrutiny	NOUN
admet-729	54	11	,	,	PUNCT
admet-729	54	12	such	such	ADJ
admet-729	54	13	that	that	SCONJ
admet-729	54	14	not	not	PART
admet-729	54	15	only	only	ADV
admet-729	54	16	the	the	DET
admet-729	54	17	heme	heme	NOUN
admet-729	54	18	site	site	NOUN
admet-729	54	19	mattered	matter	VERB
admet-729	54	20	but	but	CCONJ
admet-729	54	21	also	also	ADV
admet-729	54	22	all	all	DET
admet-729	54	23	other	other	ADJ
admet-729	54	24	protein	protein	NOUN
admet-729	54	25	parts	part	NOUN
admet-729	54	26	did	do	VERB
admet-729	54	27	because	because	SCONJ
admet-729	54	28	any	any	DET
admet-729	54	29	geometrical	geometrical	ADJ
admet-729	54	30	changes	change	NOUN
admet-729	54	31	in	in	ADP
admet-729	54	32	liganded	ligande	VERB
admet-729	54	33	and	and	CCONJ
admet-729	54	34	unliganded	unligande	VERB
admet-729	54	35	proteins	protein	NOUN
admet-729	54	36	could	could	AUX
admet-729	54	37	hint	hint	VERB
admet-729	54	38	at	at	ADP
admet-729	54	39	induced	induced	ADJ
admet-729	54	40	fit	fit	ADJ
admet-729	54	41	phenomena	phenomenon	NOUN
admet-729	54	42	.	.	PUNCT
admet-729	55	1	we	we	PRON
admet-729	55	2	averaged	average	VERB
admet-729	55	3	the	the	DET
admet-729	55	4	positions	position	NOUN
admet-729	55	5	of	of	ADP
admet-729	55	6	each	each	DET
admet-729	55	7	atom	atom	NOUN
admet-729	55	8	along	along	ADP
admet-729	55	9	the	the	DET
admet-729	55	10	md	md	PROPN
admet-729	55	11	trajectory	trajectory	NOUN
admet-729	55	12	as	as	ADP
admet-729	55	13	a	a	DET
admet-729	55	14	reference	reference	NOUN
admet-729	55	15	to	to	PART
admet-729	55	16	calculate	calculate	VERB
admet-729	55	17	rmsd	rmsd	NOUN
admet-729	55	18	.	.	PUNCT
admet-729	56	1	this	this	DET
admet-729	56	2	way	way	NOUN
admet-729	56	3	,	,	PUNCT
admet-729	56	4	we	we	PRON
admet-729	56	5	obtained	obtain	VERB
admet-729	56	6	a	a	DET
admet-729	56	7	trustworthy	trustworthy	ADJ
admet-729	56	8	framework	framework	NOUN
admet-729	56	9	of	of	ADP
admet-729	56	10	the	the	DET
admet-729	56	11	average	average	ADJ
admet-729	56	12	positions	position	NOUN
admet-729	56	13	of	of	ADP
admet-729	56	14	each	each	DET
admet-729	56	15	atom	atom	NOUN
admet-729	56	16	of	of	ADP
admet-729	56	17	the	the	DET
admet-729	56	18	protein	protein	NOUN
admet-729	56	19	because	because	SCONJ
admet-729	56	20	any	any	DET
admet-729	56	21	larger	large	ADJ
admet-729	56	22	magnitude	magnitude	NOUN
admet-729	56	23	of	of	ADP
admet-729	56	24	movement	movement	NOUN
admet-729	56	25	would	would	AUX
admet-729	56	26	be	be	AUX
admet-729	56	27	admet	admet	PROPN
admet-729	56	28	&	&	CCONJ
admet-729	56	29	dmpk	dmpk	PROPN
admet-729	56	30	7(4	7(4	NUM
admet-729	56	31	)	)	PUNCT
admet-729	56	32	(	(	PUNCT
admet-729	56	33	2019	2019	NUM
admet-729	56	34	)	)	PUNCT
admet-729	56	35	252	252	NUM
admet-729	56	36	-	-	SYM
admet-729	56	37	266	266	NUM
admet-729	56	38	induced	induce	VERB
admet-729	56	39	fit	fit	NOUN
admet-729	56	40	of	of	ADP
admet-729	56	41	cyp3a4	cyp3a4	PROPN
admet-729	56	42	doi	doi	PROPN
admet-729	56	43	:	:	PUNCT
admet-729	56	44	10.5599	10.5599	NUM
admet-729	56	45	/	/	SYM
admet-729	56	46	admet.729	admet.729	PROPN
admet-729	56	47	255	255	NUM
admet-729	56	48	represented	represent	VERB
admet-729	56	49	by	by	ADP
admet-729	56	50	higher	high	ADJ
admet-729	56	51	rmsd	rmsd	NOUN
admet-729	56	52	values	value	NOUN
admet-729	56	53	(	(	PUNCT
admet-729	56	54	table	table	NOUN
admet-729	56	55	5	5	NUM
admet-729	56	56	in	in	ADP
admet-729	56	57	the	the	DET
admet-729	56	58	results	result	NOUN
admet-729	56	59	section	section	NOUN
admet-729	56	60	)	)	PUNCT
admet-729	56	61	.	.	PUNCT
admet-729	57	1	besides	besides	SCONJ
admet-729	57	2	rmsd	rmsd	VERB
admet-729	57	3	,	,	PUNCT
admet-729	57	4	so	so	ADV
admet-729	57	5	-	-	PUNCT
admet-729	57	6	called	call	VERB
admet-729	57	7	heat	heat	NOUN
admet-729	57	8	maps	map	NOUN
admet-729	57	9	of	of	ADP
admet-729	57	10	root	root	NOUN
admet-729	57	11	mean	mean	PROPN
admet-729	57	12	square	square	ADJ
admet-729	57	13	fluctuation	fluctuation	NOUN
admet-729	57	14	were	be	AUX
admet-729	57	15	also	also	ADV
admet-729	57	16	analyzed	analyze	VERB
admet-729	57	17	.	.	PUNCT
admet-729	58	1	given	give	VERB
admet-729	58	2	the	the	DET
admet-729	58	3	reported	report	VERB
admet-729	58	4	conundrum	conundrum	NOUN
admet-729	58	5	about	about	ADP
admet-729	58	6	geometrical	geometrical	ADJ
admet-729	58	7	changes	change	NOUN
admet-729	58	8	in	in	ADP
admet-729	58	9	general	general	ADJ
admet-729	58	10	and	and	CCONJ
admet-729	58	11	in	in	ADP
admet-729	58	12	the	the	DET
admet-729	58	13	context	context	NOUN
admet-729	58	14	of	of	ADP
admet-729	58	15	induced	induced	ADJ
admet-729	58	16	fit	fit	NOUN
admet-729	58	17	for	for	ADP
admet-729	58	18	cyp	cyp	ADJ
admet-729	58	19	enzymes	enzyme	NOUN
admet-729	58	20	[	[	X
admet-729	58	21	9,21,26	9,21,26	NUM
admet-729	58	22	-	-	SYM
admet-729	58	23	28	28	NUM
admet-729	58	24	]	]	PUNCT
admet-729	58	25	,	,	PUNCT
admet-729	58	26	we	we	PRON
admet-729	58	27	decided	decide	VERB
admet-729	58	28	to	to	PART
admet-729	58	29	study	study	VERB
admet-729	58	30	pairs	pair	NOUN
admet-729	58	31	of	of	ADP
admet-729	58	32	unliganded	unliganded	ADJ
admet-729	58	33	and	and	CCONJ
admet-729	58	34	liganded	ligande	VERB
admet-729	58	35	crystal	crystal	NOUN
admet-729	58	36	complexes	complex	NOUN
admet-729	58	37	of	of	ADP
admet-729	58	38	the	the	DET
admet-729	58	39	same	same	ADJ
admet-729	58	40	cyp	cyp	ADJ
admet-729	58	41	enzyme	enzyme	NOUN
admet-729	58	42	.	.	PUNCT
admet-729	59	1	this	this	DET
admet-729	59	2	way	way	NOUN
admet-729	59	3	,	,	PUNCT
admet-729	59	4	geometrical	geometrical	ADJ
admet-729	59	5	differences	difference	NOUN
admet-729	59	6	are	be	AUX
admet-729	59	7	known	know	VERB
admet-729	59	8	before	before	ADP
admet-729	59	9	md	md	PROPN
admet-729	59	10	simulation	simulation	PROPN
admet-729	59	11	thanks	thank	NOUN
admet-729	59	12	to	to	ADP
admet-729	59	13	experimental	experimental	ADJ
admet-729	59	14	determination	determination	NOUN
admet-729	59	15	(	(	PUNCT
admet-729	59	16	pdb	pdb	PROPN
admet-729	59	17	data	data	PROPN
admet-729	59	18	)	)	PUNCT
admet-729	59	19	.	.	PUNCT
admet-729	60	1	moreover	moreover	ADV
admet-729	60	2	,	,	PUNCT
admet-729	60	3	after	after	ADP
admet-729	60	4	relaxation	relaxation	NOUN
admet-729	60	5	to	to	ADP
admet-729	60	6	thermal	thermal	ADJ
admet-729	60	7	equilibrium	equilibrium	NOUN
admet-729	60	8	any	any	DET
admet-729	60	9	changes	change	NOUN
admet-729	60	10	in	in	ADP
admet-729	60	11	the	the	DET
admet-729	60	12	observed	observed	ADJ
admet-729	60	13	geometries	geometry	NOUN
admet-729	60	14	during	during	ADP
admet-729	60	15	md	md	PROPN
admet-729	60	16	simulation	simulation	NOUN
admet-729	60	17	could	could	AUX
admet-729	60	18	be	be	AUX
admet-729	60	19	related	relate	VERB
admet-729	60	20	to	to	ADP
admet-729	60	21	induced	induce	VERB
admet-729	60	22	fit	fit	ADJ
admet-729	60	23	[	[	X
admet-729	60	24	29	29	NUM
admet-729	60	25	-	-	SYM
admet-729	60	26	33	33	NUM
admet-729	60	27	]	]	PUNCT
admet-729	60	28	.	.	PUNCT
admet-729	61	1	the	the	DET
admet-729	61	2	silently	silently	ADV
admet-729	61	3	made	make	VERB
admet-729	61	4	assumption	assumption	NOUN
admet-729	61	5	here	here	ADV
admet-729	61	6	was	be	AUX
admet-729	61	7	that	that	SCONJ
admet-729	61	8	the	the	DET
admet-729	61	9	structural	structural	ADJ
admet-729	61	10	differences	difference	NOUN
admet-729	61	11	between	between	ADP
admet-729	61	12	the	the	DET
admet-729	61	13	liganded	ligande	VERB
admet-729	61	14	and	and	CCONJ
admet-729	61	15	unliganded	unligande	VERB
admet-729	61	16	crystal	crystal	NOUN
admet-729	61	17	structures	structure	NOUN
admet-729	61	18	could	could	AUX
admet-729	61	19	no	no	ADV
admet-729	61	20	longer	long	ADV
admet-729	61	21	be	be	AUX
admet-729	61	22	due	due	ADJ
admet-729	61	23	to	to	ADP
admet-729	61	24	crystal	crystal	NOUN
admet-729	61	25	package	package	NOUN
admet-729	61	26	forces	force	NOUN
admet-729	61	27	after	after	SCONJ
admet-729	61	28	force	force	NOUN
admet-729	61	29	field	field	NOUN
admet-729	61	30	treatment	treatment	NOUN
admet-729	61	31	to	to	PART
admet-729	61	32	relax	relax	VERB
admet-729	61	33	both	both	DET
admet-729	61	34	protein	protein	NOUN
admet-729	61	35	structures	structure	NOUN
admet-729	61	36	(	(	PUNCT
admet-729	61	37	cf	cf	NOUN
admet-729	61	38	.	.	PUNCT
admet-729	61	39	aforementioned	aforementione	VERB
admet-729	61	40	model	model	NOUN
admet-729	61	41	limitations	limitation	NOUN
admet-729	61	42	)	)	PUNCT
admet-729	61	43	.	.	PUNCT
admet-729	62	1	according	accord	VERB
admet-729	62	2	to	to	ADP
admet-729	62	3	our	our	PRON
admet-729	62	4	literature	literature	NOUN
admet-729	62	5	survey	survey	NOUN
admet-729	62	6	[	[	X
admet-729	62	7	9	9	NUM
admet-729	62	8	]	]	PUNCT
admet-729	62	9	,	,	PUNCT
admet-729	62	10	no	no	DET
admet-729	62	11	publication	publication	NOUN
admet-729	62	12	considered	consider	VERB
admet-729	62	13	the	the	DET
admet-729	62	14	pairwise	pairwise	NOUN
admet-729	62	15	study	study	NOUN
admet-729	62	16	of	of	ADP
admet-729	62	17	cyp	cyp	ADJ
admet-729	62	18	enzymes	enzyme	NOUN
admet-729	62	19	in	in	ADP
admet-729	62	20	presence	presence	NOUN
admet-729	62	21	and	and	CCONJ
admet-729	62	22	absence	absence	NOUN
admet-729	62	23	of	of	ADP
admet-729	62	24	ligands	ligand	NOUN
admet-729	62	25	and	and	CCONJ
admet-729	62	26	how	how	SCONJ
admet-729	62	27	this	this	PRON
admet-729	62	28	could	could	AUX
admet-729	62	29	affect	affect	VERB
admet-729	62	30	their	their	PRON
admet-729	62	31	geometries	geometry	NOUN
admet-729	62	32	.	.	PUNCT
admet-729	63	1	based	base	VERB
admet-729	63	2	on	on	ADP
admet-729	63	3	what	what	PRON
admet-729	63	4	is	be	AUX
admet-729	63	5	known	know	VERB
admet-729	63	6	to	to	ADP
admet-729	63	7	date	date	NOUN
admet-729	63	8	and	and	CCONJ
admet-729	63	9	not	not	PART
admet-729	63	10	being	be	AUX
admet-729	63	11	explicitly	explicitly	ADV
admet-729	63	12	documented	document	VERB
admet-729	63	13	in	in	ADP
admet-729	63	14	the	the	DET
admet-729	63	15	extant	extant	ADJ
admet-729	63	16	literature	literature	NOUN
admet-729	63	17	,	,	PUNCT
admet-729	63	18	the	the	DET
admet-729	63	19	need	need	NOUN
admet-729	63	20	arises	arise	VERB
admet-729	63	21	to	to	PART
admet-729	63	22	systematically	systematically	ADV
admet-729	63	23	study	study	VERB
admet-729	63	24	the	the	DET
admet-729	63	25	ligand	ligand	ADJ
admet-729	63	26	effect	effect	NOUN
admet-729	63	27	on	on	ADP
admet-729	63	28	initial	initial	ADJ
admet-729	63	29	atom	atom	NOUN
admet-729	63	30	positions	position	NOUN
admet-729	63	31	by	by	ADP
admet-729	63	32	computational	computational	ADJ
admet-729	63	33	md	md	PROPN
admet-729	63	34	and	and	CCONJ
admet-729	63	35	evaluate	evaluate	VERB
admet-729	63	36	the	the	DET
admet-729	63	37	numerical	numerical	ADJ
admet-729	63	38	results	result	NOUN
admet-729	63	39	in	in	ADP
admet-729	63	40	the	the	DET
admet-729	63	41	context	context	NOUN
admet-729	63	42	of	of	ADP
admet-729	63	43	induced	induced	ADJ
admet-729	63	44	fit	fit	NOUN
admet-729	63	45	.	.	PUNCT
admet-729	64	1	experimental	experimental	ADJ
admet-729	64	2	structural	structural	ADJ
admet-729	64	3	input	input	NOUN
admet-729	64	4	data	datum	NOUN
admet-729	64	5	molecular	molecular	ADJ
admet-729	64	6	dynamics	dynamic	NOUN
admet-729	64	7	techniques	technique	NOUN
admet-729	64	8	were	be	AUX
admet-729	64	9	used	use	VERB
admet-729	64	10	to	to	PART
admet-729	64	11	evaluate	evaluate	VERB
admet-729	64	12	the	the	DET
admet-729	64	13	conformational	conformational	ADJ
admet-729	64	14	changes	change	NOUN
admet-729	64	15	in	in	ADP
admet-729	64	16	the	the	DET
admet-729	64	17	structure	structure	NOUN
admet-729	64	18	of	of	ADP
admet-729	64	19	the	the	DET
admet-729	64	20	protein	protein	NOUN
admet-729	64	21	backbone	backbone	NOUN
admet-729	64	22	.	.	PUNCT
admet-729	65	1	the	the	DET
admet-729	65	2	md	md	PROPN
admet-729	65	3	results	result	NOUN
admet-729	65	4	were	be	AUX
admet-729	65	5	evaluated	evaluate	VERB
admet-729	65	6	based	base	VERB
admet-729	65	7	on	on	ADP
admet-729	65	8	the	the	DET
admet-729	65	9	atoms	atom	NOUN
admet-729	65	10	’	'	PUNCT
admet-729	65	11	start	start	VERB
admet-729	65	12	positions	position	NOUN
admet-729	65	13	which	which	PRON
admet-729	65	14	were	be	AUX
admet-729	65	15	taken	take	VERB
admet-729	65	16	from	from	ADP
admet-729	65	17	the	the	DET
admet-729	65	18	crystal	crystal	NOUN
admet-729	65	19	structures	structure	NOUN
admet-729	65	20	.	.	PUNCT
admet-729	66	1	selection	selection	NOUN
admet-729	66	2	of	of	ADP
admet-729	66	3	input	input	NOUN
admet-729	66	4	structures	structure	NOUN
admet-729	66	5	after	after	ADP
admet-729	66	6	inspecting	inspect	VERB
admet-729	66	7	pairs	pair	NOUN
admet-729	66	8	of	of	ADP
admet-729	66	9	crystal	crystal	NOUN
admet-729	66	10	structures	structure	NOUN
admet-729	66	11	of	of	ADP
admet-729	66	12	human	human	ADJ
admet-729	66	13	cyps	cyps	PROPN
admet-729	66	14	with	with	ADP
admet-729	66	15	and	and	CCONJ
admet-729	66	16	without	without	ADP
admet-729	66	17	drug	drug	NOUN
admet-729	66	18	substrates	substrate	NOUN
admet-729	66	19	in	in	ADP
admet-729	66	20	their	their	PRON
admet-729	66	21	respective	respective	ADJ
admet-729	66	22	cavities	cavity	NOUN
admet-729	66	23	in	in	ADP
admet-729	66	24	the	the	DET
admet-729	66	25	protein	protein	NOUN
admet-729	66	26	database	database	NOUN
admet-729	66	27	(	(	PUNCT
admet-729	66	28	pdb	pdb	NOUN
admet-729	66	29	)	)	PUNCT
admet-729	67	1	[	[	X
admet-729	67	2	34	34	NUM
admet-729	67	3	]	]	PUNCT
admet-729	67	4	,	,	PUNCT
admet-729	67	5	it	it	PRON
admet-729	67	6	was	be	AUX
admet-729	67	7	decided	decide	VERB
admet-729	67	8	to	to	PART
admet-729	67	9	use	use	VERB
admet-729	67	10	two	two	NUM
admet-729	67	11	pdb	pdb	NOUN
admet-729	67	12	entries	entry	NOUN
admet-729	67	13	for	for	ADP
admet-729	67	14	human	human	ADJ
admet-729	67	15	cyp3a4	cyp3a4	NOUN
admet-729	67	16	:	:	PUNCT
admet-729	67	17	1tqn	1tqn	NUM
admet-729	67	18	and	and	CCONJ
admet-729	67	19	3nxu	3nxu	PROPN
admet-729	67	20	[	[	X
admet-729	67	21	29,30	29,30	NUM
admet-729	67	22	]	]	PUNCT
admet-729	67	23	.	.	PUNCT
admet-729	68	1	the	the	DET
admet-729	68	2	former	former	ADJ
admet-729	68	3	presents	present	VERB
admet-729	68	4	a	a	DET
admet-729	68	5	single	single	ADJ
admet-729	68	6	chain	chain	NOUN
admet-729	68	7	biological	biological	ADJ
admet-729	68	8	unit	unit	NOUN
admet-729	68	9	without	without	ADP
admet-729	68	10	substrate	substrate	NOUN
admet-729	68	11	.	.	PUNCT
admet-729	69	1	in	in	ADP
admet-729	69	2	turn	turn	NOUN
admet-729	69	3	,	,	PUNCT
admet-729	69	4	3nxu	3nxu	PROPN
admet-729	69	5	presents	present	VERB
admet-729	69	6	a	a	DET
admet-729	69	7	homodimer	homodimer	NOUN
admet-729	69	8	with	with	ADP
admet-729	69	9	the	the	DET
admet-729	69	10	antiviral	antiviral	ADJ
admet-729	69	11	drug	drug	NOUN
admet-729	69	12	ritonavir	ritonavir	PROPN
admet-729	69	13	(	(	PUNCT
admet-729	69	14	rit	rit	PROPN
admet-729	69	15	)	)	PUNCT
admet-729	69	16	as	as	ADP
admet-729	69	17	its	its	PRON
admet-729	69	18	substrate	substrate	NOUN
admet-729	69	19	.	.	PUNCT
admet-729	70	1	rit	rit	NOUN
admet-729	70	2	occupies	occupy	VERB
admet-729	70	3	the	the	DET
admet-729	70	4	active	active	ADJ
admet-729	70	5	site	site	NOUN
admet-729	70	6	.	.	PUNCT
admet-729	71	1	for	for	ADP
admet-729	71	2	this	this	DET
admet-729	71	3	study	study	NOUN
admet-729	71	4	,	,	PUNCT
admet-729	71	5	we	we	PRON
admet-729	71	6	removed	remove	VERB
admet-729	71	7	chain	chain	NOUN
admet-729	71	8	b	b	PROPN
admet-729	71	9	from	from	ADP
admet-729	71	10	3nxu	3nxu	PROPN
admet-729	71	11	.	.	PUNCT
admet-729	72	1	in	in	ADP
admet-729	72	2	1tqn	1tqn	NUM
admet-729	72	3	four	four	NUM
admet-729	72	4	amino	amino	ADJ
admet-729	72	5	acids	acid	NOUN
admet-729	72	6	(	(	PUNCT
admet-729	72	7	k282	k282	PROPN
admet-729	72	8	,	,	PUNCT
admet-729	72	9	e283	e283	PROPN
admet-729	72	10	,	,	PUNCT
admet-729	72	11	t284	t284	PROPN
admet-729	72	12	and	and	CCONJ
admet-729	72	13	e285	e285	PROPN
admet-729	72	14	)	)	PUNCT
admet-729	72	15	are	be	AUX
admet-729	72	16	missing	miss	VERB
admet-729	72	17	in	in	ADP
admet-729	72	18	a	a	DET
admet-729	72	19	loop	loop	NOUN
admet-729	72	20	(	(	PUNCT
admet-729	72	21	h	h	NOUN
admet-729	72	22	-	-	PUNCT
admet-729	72	23	i	i	NOUN
admet-729	72	24	)	)	PUNCT
admet-729	72	25	not	not	PART
admet-729	72	26	belonging	belong	VERB
admet-729	72	27	to	to	ADP
admet-729	72	28	the	the	DET
admet-729	72	29	active	active	ADJ
admet-729	72	30	site	site	NOUN
admet-729	72	31	while	while	SCONJ
admet-729	72	32	3nxu	3nxu	PROPN
admet-729	72	33	shows	show	VERB
admet-729	72	34	unresolved	unresolved	ADJ
admet-729	72	35	residues	residue	NOUN
admet-729	72	36	in	in	ADP
admet-729	72	37	positions	position	NOUN
admet-729	72	38	similar	similar	ADJ
admet-729	72	39	to	to	ADP
admet-729	72	40	that	that	PRON
admet-729	72	41	of	of	ADP
admet-729	72	42	1tqn	1tqn	NUM
admet-729	72	43	.	.	PUNCT
admet-729	73	1	this	this	DET
admet-729	73	2	pair	pair	NOUN
admet-729	73	3	was	be	AUX
admet-729	73	4	chosen	choose	VERB
admet-729	73	5	based	base	VERB
admet-729	73	6	on	on	ADP
admet-729	73	7	the	the	DET
admet-729	73	8	following	follow	VERB
admet-729	73	9	five	five	NUM
admet-729	73	10	reasons	reason	NOUN
admet-729	73	11	:	:	PUNCT
admet-729	73	12	(	(	PUNCT
admet-729	73	13	i	i	NOUN
admet-729	73	14	)	)	PUNCT
admet-729	73	15	both	both	DET
admet-729	73	16	structures	structure	NOUN
admet-729	73	17	were	be	AUX
admet-729	73	18	chosen	choose	VERB
admet-729	73	19	because	because	SCONJ
admet-729	73	20	of	of	ADP
admet-729	73	21	the	the	DET
admet-729	73	22	geometrical	geometrical	ADJ
admet-729	73	23	changes	change	NOUN
admet-729	73	24	which	which	PRON
admet-729	73	25	can	can	AUX
admet-729	73	26	readily	readily	ADV
admet-729	73	27	be	be	AUX
admet-729	73	28	ascribed	ascribe	VERB
admet-729	73	29	to	to	ADP
admet-729	73	30	the	the	DET
admet-729	73	31	presence	presence	NOUN
admet-729	73	32	or	or	CCONJ
admet-729	73	33	absence	absence	NOUN
admet-729	73	34	of	of	ADP
admet-729	73	35	ligand	ligand	NOUN
admet-729	73	36	at	at	ADP
admet-729	73	37	the	the	DET
admet-729	73	38	active	active	ADJ
admet-729	73	39	site	site	NOUN
admet-729	73	40	:	:	PUNCT
admet-729	73	41	in	in	ADP
admet-729	73	42	1tqn	1tqn	NUM
admet-729	73	43	the	the	DET
admet-729	73	44	f	f	PROPN
admet-729	73	45	-	-	PUNCT
admet-729	73	46	g	g	PROPN
admet-729	73	47	loop	loop	NOUN
admet-729	73	48	is	be	AUX
admet-729	73	49	displaced	displace	VERB
admet-729	73	50	inwards	inward	NOUN
admet-729	73	51	into	into	ADP
admet-729	73	52	the	the	DET
admet-729	73	53	catalytic	catalytic	ADJ
admet-729	73	54	cavity	cavity	NOUN
admet-729	73	55	,	,	PUNCT
admet-729	73	56	while	while	SCONJ
admet-729	73	57	in	in	ADP
admet-729	73	58	3nxu	3nxu	PROPN
admet-729	73	59	the	the	DET
admet-729	73	60	backbone	backbone	NOUN
admet-729	73	61	and	and	CCONJ
admet-729	73	62	side	side	NOUN
admet-729	73	63	chain	chain	NOUN
admet-729	73	64	geometries	geometry	NOUN
admet-729	73	65	of	of	ADP
admet-729	73	66	this	this	DET
admet-729	73	67	loop	loop	NOUN
admet-729	73	68	are	be	AUX
admet-729	73	69	relocated	relocate	VERB
admet-729	73	70	due	due	ADP
admet-729	73	71	to	to	ADP
admet-729	73	72	the	the	DET
admet-729	73	73	presence	presence	NOUN
admet-729	73	74	of	of	ADP
admet-729	73	75	ritonavir	ritonavir	PROPN
admet-729	73	76	(	(	PUNCT
admet-729	73	77	figure	figure	NOUN
admet-729	73	78	2	2	NUM
admet-729	73	79	)	)	PUNCT
admet-729	73	80	;	;	PUNCT
admet-729	73	81	(	(	PUNCT
admet-729	73	82	ii	ii	NOUN
admet-729	73	83	)	)	PUNCT
admet-729	73	84	they	they	PRON
admet-729	73	85	are	be	AUX
admet-729	73	86	crystallographic	crystallographic	ADJ
admet-729	73	87	works	work	NOUN
admet-729	73	88	of	of	ADP
admet-729	73	89	different	different	ADJ
admet-729	73	90	research	research	NOUN
admet-729	73	91	teams	team	NOUN
admet-729	73	92	;	;	PUNCT
admet-729	73	93	(	(	PUNCT
admet-729	73	94	iii	iii	X
admet-729	73	95	)	)	PUNCT
admet-729	73	96	they	they	PRON
admet-729	73	97	have	have	VERB
admet-729	73	98	a	a	DET
admet-729	73	99	similar	similar	ADJ
admet-729	73	100	resolution	resolution	NOUN
admet-729	73	101	of	of	ADP
admet-729	73	102	high	high	ADJ
admet-729	73	103	quality	quality	NOUN
admet-729	73	104	;	;	PUNCT
admet-729	73	105	(	(	PUNCT
admet-729	73	106	iv	iv	X
admet-729	73	107	)	)	PUNCT
admet-729	73	108	3nxu	3nxu	PROPN
admet-729	73	109	uses	use	VERB
admet-729	73	110	molecular	molecular	ADJ
admet-729	73	111	replacement	replacement	NOUN
admet-729	73	112	as	as	ADP
admet-729	73	113	a	a	DET
admet-729	73	114	method	method	NOUN
admet-729	73	115	to	to	PART
admet-729	73	116	determine	determine	VERB
admet-729	73	117	its	its	PRON
admet-729	73	118	structure	structure	NOUN
admet-729	73	119	,	,	PUNCT
admet-729	73	120	i.e.	i.e.	X
admet-729	73	121	1tqn	1tqn	NUM
admet-729	73	122	was	be	AUX
admet-729	73	123	taken	take	VERB
admet-729	73	124	as	as	ADP
admet-729	73	125	a	a	DET
admet-729	73	126	crystallographic	crystallographic	ADJ
admet-729	73	127	reconstruction	reconstruction	NOUN
admet-729	73	128	template	template	NOUN
admet-729	73	129	;	;	PUNCT
admet-729	73	130	(	(	PUNCT
admet-729	73	131	v	v	NOUN
admet-729	73	132	)	)	PUNCT
admet-729	73	133	atoms	atom	NOUN
admet-729	73	134	are	be	AUX
admet-729	73	135	not	not	PART
admet-729	73	136	missing	miss	VERB
admet-729	73	137	at	at	ADP
admet-729	73	138	their	their	PRON
admet-729	73	139	active	active	ADJ
admet-729	73	140	sites	site	NOUN
admet-729	73	141	and	and	CCONJ
admet-729	73	142	displacement	displacement	NOUN
admet-729	73	143	of	of	ADP
admet-729	73	144	their	their	PRON
admet-729	73	145	main	main	ADJ
admet-729	73	146	and	and	CCONJ
admet-729	73	147	side	side	NOUN
admet-729	73	148	chains	chain	NOUN
admet-729	73	149	is	be	AUX
admet-729	73	150	clearly	clearly	ADV
admet-729	73	151	observable	observable	ADJ
admet-729	73	152	.	.	PUNCT
admet-729	74	1	we	we	PRON
admet-729	74	2	measured	measure	VERB
admet-729	74	3	the	the	DET
admet-729	74	4	binding	bind	VERB
admet-729	74	5	site	site	NOUN
admet-729	74	6	volume	volume	NOUN
admet-729	74	7	to	to	PART
admet-729	74	8	confirm	confirm	VERB
admet-729	74	9	the	the	DET
admet-729	74	10	generally	generally	ADV
admet-729	74	11	accepted	accept	VERB
admet-729	74	12	view	view	NOUN
admet-729	74	13	that	that	SCONJ
admet-729	74	14	hcyp3a4	hcyp3a4	PROPN
admet-729	74	15	can	can	AUX
admet-729	74	16	bind	bind	VERB
admet-729	74	17	many	many	ADJ
admet-729	74	18	drugs	drug	NOUN
admet-729	74	19	of	of	ADP
admet-729	74	20	different	different	ADJ
admet-729	74	21	shapes	shape	NOUN
admet-729	74	22	and	and	CCONJ
admet-729	74	23	sizes	size	NOUN
admet-729	74	24	thanks	thank	NOUN
admet-729	74	25	to	to	ADP
admet-729	74	26	its	its	PRON
admet-729	74	27	huge	huge	ADJ
admet-729	74	28	and	and	CCONJ
admet-729	74	29	variable	variable	ADJ
admet-729	74	30	cavity	cavity	NOUN
admet-729	74	31	between	between	ADP
admet-729	74	32	1440	1440	NUM
admet-729	74	33	and	and	CCONJ
admet-729	74	34	2130	2130	NUM
admet-729	74	35	[	[	X
admet-729	74	36	å3	å3	PROPN
admet-729	74	37	]	]	PUNCT
admet-729	74	38	,	,	PUNCT
admet-729	74	39	cf	cf	INTJ
admet-729	74	40	.	.	PUNCT
admet-729	75	1	human	human	PROPN
admet-729	75	2	cyp2c9	cyp2c9	PROPN
admet-729	75	3	,	,	PUNCT
admet-729	75	4	for	for	ADP
admet-729	75	5	example	example	NOUN
admet-729	75	6	,	,	PUNCT
admet-729	75	7	has	have	VERB
admet-729	75	8	a	a	DET
admet-729	75	9	smaller	small	ADJ
admet-729	75	10	volume	volume	NOUN
admet-729	75	11	:	:	PUNCT
admet-729	75	12	up	up	ADP
admet-729	75	13	to	to	PART
admet-729	75	14	1400	1400	NUM
admet-729	75	15	[	[	X
admet-729	75	16	å3	å3	X
admet-729	75	17	]	]	X
admet-729	75	18	(	(	PUNCT
admet-729	75	19	pdb	pdb	PROPN
admet-729	75	20	code	code	PROPN
admet-729	75	21	:	:	PUNCT
admet-729	75	22	1r9o	1r9o	X
admet-729	75	23	)	)	PUNCT
admet-729	76	1	[	[	X
admet-729	76	2	20	20	NUM
admet-729	76	3	]	]	PUNCT
admet-729	76	4	.	.	PUNCT
admet-729	77	1	quiroga	quiroga	PROPN
admet-729	77	2	and	and	CCONJ
admet-729	77	3	scior	scior	PROPN
admet-729	77	4	admet	admet	PROPN
admet-729	77	5	&	&	CCONJ
admet-729	77	6	dmpk	dmpk	PROPN
admet-729	77	7	7(4	7(4	NUM
admet-729	77	8	)	)	PUNCT
admet-729	77	9	(	(	PUNCT
admet-729	77	10	2019	2019	NUM
admet-729	77	11	)	)	PUNCT
admet-729	77	12	252	252	NUM
admet-729	77	13	-	-	SYM
admet-729	77	14	266	266	NUM
admet-729	77	15	256	256	NUM
admet-729	77	16	figure	figure	NOUN
admet-729	77	17	2	2	NUM
admet-729	77	18	.	.	PUNCT
admet-729	77	19	superposition	superposition	NOUN
admet-729	77	20	of	of	ADP
admet-729	77	21	a	a	DET
admet-729	77	22	pair	pair	NOUN
admet-729	77	23	of	of	ADP
admet-729	77	24	liganded	liganded	ADJ
admet-729	77	25	and	and	CCONJ
admet-729	77	26	unliganded	unliganded	ADJ
admet-729	77	27	enzyme	enzyme	NOUN
admet-729	77	28	pair	pair	NOUN
admet-729	77	29	.	.	PUNCT
admet-729	78	1	the	the	DET
admet-729	78	2	two	two	NUM
admet-729	78	3	crystal	crystal	NOUN
admet-729	78	4	structures	structure	NOUN
admet-729	78	5	of	of	ADP
admet-729	78	6	human	human	ADJ
admet-729	78	7	cyp3a4	cyp3a4	PROPN
admet-729	78	8	are	be	AUX
admet-729	78	9	displayed	display	VERB
admet-729	78	10	by	by	ADP
admet-729	78	11	backbone	backbone	NOUN
admet-729	78	12	lines	line	NOUN
admet-729	78	13	indicating	indicate	VERB
admet-729	78	14	helical	helical	ADJ
admet-729	78	15	and	and	CCONJ
admet-729	78	16	loop	loop	NOUN
admet-729	78	17	parts	part	NOUN
admet-729	78	18	in	in	ADP
admet-729	78	19	gray	gray	ADJ
admet-729	78	20	color	color	NOUN
admet-729	78	21	.	.	PUNCT
admet-729	79	1	on	on	ADP
admet-729	79	2	top	top	ADJ
admet-729	79	3	two	two	NUM
admet-729	79	4	colors	color	NOUN
admet-729	79	5	mark	mark	VERB
admet-729	79	6	conformational	conformational	ADJ
admet-729	79	7	differences	difference	NOUN
admet-729	79	8	in	in	ADP
admet-729	79	9	the	the	DET
admet-729	79	10	f	f	PROPN
admet-729	79	11	-	-	PUNCT
admet-729	79	12	g	g	PROPN
admet-729	79	13	loops	loop	NOUN
admet-729	79	14	of	of	ADP
admet-729	79	15	unliganded	unligande	VERB
admet-729	79	16	1tqn	1tqn	NUM
admet-729	79	17	(	(	PUNCT
admet-729	79	18	magenta	magenta	PROPN
admet-729	79	19	)	)	PUNCT
admet-729	79	20	and	and	CCONJ
admet-729	79	21	liganded	ligande	VERB
admet-729	79	22	3nxu	3nxu	PROPN
admet-729	79	23	(	(	PUNCT
admet-729	79	24	bluish	bluish	ADJ
admet-729	79	25	)	)	PUNCT
admet-729	79	26	.	.	PUNCT
admet-729	80	1	the	the	DET
admet-729	80	2	ligand	ligand	NOUN
admet-729	80	3	is	be	AUX
admet-729	80	4	ritonavir	ritonavir	PROPN
admet-729	80	5	(	(	PUNCT
admet-729	80	6	atom	atom	NOUN
admet-729	80	7	sticks	stick	NOUN
admet-729	80	8	in	in	ADP
admet-729	80	9	the	the	DET
admet-729	80	10	center	center	NOUN
admet-729	80	11	,	,	PUNCT
admet-729	80	12	blue	blue	PROPN
admet-729	80	13	c	c	NOUN
admet-729	80	14	,	,	PUNCT
admet-729	80	15	dark	dark	ADJ
admet-729	80	16	blue	blue	ADJ
admet-729	80	17	n	n	CCONJ
admet-729	80	18	,	,	PUNCT
admet-729	80	19	red	red	ADJ
admet-729	80	20	o	o	NOUN
admet-729	80	21	)	)	PUNCT
admet-729	80	22	.	.	PUNCT
admet-729	81	1	the	the	DET
admet-729	81	2	catalytic	catalytic	ADJ
admet-729	81	3	heme	heme	NOUN
admet-729	81	4	group	group	NOUN
admet-729	81	5	(	(	PUNCT
admet-729	81	6	brown	brown	ADJ
admet-729	81	7	sticks	stick	NOUN
admet-729	81	8	with	with	ADP
admet-729	81	9	o	o	PROPN
admet-729	81	10	atoms	atom	NOUN
admet-729	81	11	in	in	ADP
admet-729	81	12	red	red	ADJ
admet-729	81	13	and	and	CCONJ
admet-729	81	14	fe	fe	NOUN
admet-729	81	15	in	in	ADP
admet-729	81	16	violet	violet	NOUN
admet-729	81	17	/	/	SYM
admet-729	81	18	purple	purple	NOUN
admet-729	81	19	)	)	PUNCT
admet-729	81	20	.	.	PUNCT
admet-729	82	1	all	all	DET
admet-729	82	2	h	h	NOUN
admet-729	82	3	atoms	atom	NOUN
admet-729	82	4	omitted	omit	VERB
admet-729	82	5	.	.	PUNCT
admet-729	83	1	four	four	NUM
admet-729	83	2	combinations	combination	NOUN
admet-729	83	3	of	of	ADP
admet-729	83	4	enzyme	enzyme	NOUN
admet-729	83	5	and	and	CCONJ
admet-729	83	6	substrate	substrate	NOUN
admet-729	83	7	structures	structure	NOUN
admet-729	83	8	as	as	ADP
admet-729	83	9	input	input	NOUN
admet-729	83	10	for	for	ADP
admet-729	83	11	molecular	molecular	ADJ
admet-729	83	12	dynamics	dynamic	NOUN
admet-729	83	13	the	the	DET
admet-729	83	14	following	follow	VERB
admet-729	83	15	section	section	NOUN
admet-729	83	16	describes	describe	VERB
admet-729	83	17	how	how	SCONJ
admet-729	83	18	four	four	NUM
admet-729	83	19	input	input	NOUN
admet-729	83	20	models	model	NOUN
admet-729	83	21	for	for	ADP
admet-729	83	22	md	md	PROPN
admet-729	83	23	were	be	AUX
admet-729	83	24	created	create	VERB
admet-729	83	25	from	from	ADP
admet-729	83	26	a	a	DET
admet-729	83	27	pair	pair	NOUN
admet-729	83	28	of	of	ADP
admet-729	83	29	pdb	pdb	PROPN
admet-729	83	30	entries	entry	NOUN
admet-729	83	31	.	.	PUNCT
admet-729	84	1	the	the	DET
admet-729	84	2	two	two	NUM
admet-729	84	3	crystal	crystal	NOUN
admet-729	84	4	structures	structure	NOUN
admet-729	84	5	were	be	AUX
admet-729	84	6	taken	take	VERB
admet-729	84	7	as	as	ADP
admet-729	84	8	start	start	NOUN
admet-729	84	9	geometries	geometry	NOUN
admet-729	84	10	for	for	ADP
admet-729	84	11	two	two	NUM
admet-729	84	12	input	input	NOUN
admet-729	84	13	model	model	NOUN
admet-729	84	14	without	without	ADP
admet-729	84	15	changes	change	NOUN
admet-729	84	16	:	:	PUNCT
admet-729	84	17	(	(	PUNCT
admet-729	84	18	i	i	NOUN
admet-729	84	19	)	)	PUNCT
admet-729	84	20	the	the	DET
admet-729	84	21	chain	chain	NOUN
admet-729	84	22	a	a	PRON
admet-729	84	23	of	of	ADP
admet-729	84	24	the	the	DET
admet-729	84	25	originally	originally	ADV
admet-729	84	26	unliganded	unligande	VERB
admet-729	84	27	1tqn	1tqn	NUM
admet-729	84	28	[	[	X
admet-729	84	29	29	29	NUM
admet-729	84	30	]	]	PUNCT
admet-729	84	31	and	and	CCONJ
admet-729	84	32	(	(	PUNCT
admet-729	84	33	ii	ii	NOUN
admet-729	84	34	)	)	PUNCT
admet-729	84	35	the	the	DET
admet-729	84	36	originally	originally	ADV
admet-729	84	37	liganded	ligande	VERB
admet-729	84	38	3nxu	3nxu	PROPN
admet-729	84	39	[	[	X
admet-729	84	40	30	30	NUM
admet-729	84	41	]	]	PUNCT
admet-729	84	42	.	.	PUNCT
admet-729	85	1	in	in	ADP
admet-729	85	2	addition	addition	NOUN
admet-729	85	3	,	,	PUNCT
admet-729	85	4	two	two	NUM
admet-729	85	5	more	more	ADJ
admet-729	85	6	input	input	NOUN
admet-729	85	7	models	model	NOUN
admet-729	85	8	were	be	AUX
admet-729	85	9	generated	generate	VERB
admet-729	85	10	to	to	PART
admet-729	85	11	complete	complete	VERB
admet-729	85	12	the	the	DET
admet-729	85	13	cross	cross	ADJ
admet-729	85	14	-	-	ADJ
admet-729	85	15	over	over	ADP
admet-729	85	16	design	design	NOUN
admet-729	85	17	to	to	PART
admet-729	85	18	study	study	VERB
admet-729	85	19	all	all	DET
admet-729	85	20	four	four	NUM
admet-729	85	21	possible	possible	ADJ
admet-729	85	22	combinations	combination	NOUN
admet-729	85	23	systematically	systematically	ADV
admet-729	85	24	:	:	PUNCT
admet-729	85	25	(	(	PUNCT
admet-729	85	26	iii	iii	X
admet-729	85	27	)	)	PUNCT
admet-729	85	28	an	an	DET
admet-729	85	29	unliganded	unligande	VERB
admet-729	85	30	model	model	NOUN
admet-729	85	31	which	which	PRON
admet-729	85	32	was	be	AUX
admet-729	85	33	generated	generate	VERB
admet-729	85	34	from	from	ADP
admet-729	85	35	the	the	DET
admet-729	85	36	originally	originally	ADV
admet-729	85	37	liganded	ligande	VERB
admet-729	85	38	3nxu	3nxu	NOUN
admet-729	85	39	by	by	ADP
admet-729	85	40	removing	remove	VERB
admet-729	85	41	the	the	DET
admet-729	85	42	ligand	ligand	NOUN
admet-729	85	43	and	and	CCONJ
admet-729	85	44	leaving	leave	VERB
admet-729	85	45	all	all	DET
admet-729	85	46	spatial	spatial	ADJ
admet-729	85	47	coordinates	coordinate	NOUN
admet-729	85	48	of	of	ADP
admet-729	85	49	the	the	DET
admet-729	85	50	protein	protein	NOUN
admet-729	85	51	unchanged	unchanged	ADJ
admet-729	85	52	.	.	PUNCT
admet-729	86	1	furthermore	furthermore	ADV
admet-729	86	2	,	,	PUNCT
admet-729	86	3	another	another	DET
admet-729	86	4	liganded	ligande	VERB
admet-729	86	5	1tqn	1tqn	NUM
admet-729	86	6	model	model	NOUN
admet-729	86	7	(	(	PUNCT
admet-729	86	8	iv	iv	X
admet-729	86	9	)	)	PUNCT
admet-729	86	10	was	be	AUX
admet-729	86	11	created	create	VERB
admet-729	86	12	from	from	ADP
admet-729	86	13	the	the	DET
admet-729	86	14	originally	originally	ADV
admet-729	86	15	unliganded	unligande	VERB
admet-729	86	16	1tqn	1tqn	NUM
admet-729	86	17	.	.	PUNCT
admet-729	87	1	here	here	ADV
admet-729	87	2	the	the	DET
admet-729	87	3	ligand	ligand	NOUN
admet-729	87	4	’s	’s	PART
admet-729	87	5	start	start	NOUN
admet-729	87	6	position	position	NOUN
admet-729	87	7	was	be	AUX
admet-729	87	8	placed	place	VERB
admet-729	87	9	into	into	ADP
admet-729	87	10	the	the	DET
admet-729	87	11	cavity	cavity	NOUN
admet-729	87	12	near	near	ADP
admet-729	87	13	its	its	PRON
admet-729	87	14	observed	observed	ADJ
admet-729	87	15	pose	pose	NOUN
admet-729	87	16	(	(	PUNCT
admet-729	87	17	from	from	ADP
admet-729	87	18	3nxu	3nxu	NUM
admet-729	87	19	)	)	PUNCT
admet-729	87	20	near	near	ADP
admet-729	87	21	the	the	DET
admet-729	87	22	heme	heme	NOUN
admet-729	87	23	group	group	NOUN
admet-729	87	24	in	in	ADP
admet-729	87	25	a	a	DET
admet-729	87	26	way	way	NOUN
admet-729	87	27	which	which	PRON
admet-729	87	28	again	again	ADV
admet-729	87	29	left	leave	VERB
admet-729	87	30	the	the	DET
admet-729	87	31	cartesian	cartesian	ADJ
admet-729	87	32	coordinates	coordinate	NOUN
admet-729	87	33	of	of	ADP
admet-729	87	34	the	the	DET
admet-729	87	35	enzyme	enzyme	NOUN
admet-729	87	36	unchanged	unchanged	ADJ
admet-729	87	37	(	(	PUNCT
admet-729	87	38	table	table	NOUN
admet-729	87	39	1	1	NUM
admet-729	87	40	)	)	PUNCT
admet-729	87	41	.	.	PUNCT
admet-729	88	1	table	table	NOUN
admet-729	88	2	1	1	NUM
admet-729	88	3	.	.	PUNCT
admet-729	88	4	three	three	NUM
admet-729	88	5	-	-	PUNCT
admet-729	88	6	dimensional	dimensional	ADJ
admet-729	88	7	molecular	molecular	ADJ
admet-729	88	8	models	model	NOUN
admet-729	88	9	created	create	VERB
admet-729	88	10	to	to	PART
admet-729	88	11	study	study	VERB
admet-729	88	12	induced	induce	VERB
admet-729	88	13	fit	fit	ADJ
admet-729	88	14	for	for	ADP
admet-729	88	15	human	human	ADJ
admet-729	88	16	cyp3a4	cyp3a4	PROPN
admet-729	88	17	.	.	PUNCT
admet-729	89	1	the	the	DET
admet-729	89	2	label	label	NOUN
admet-729	89	3	“	"	PUNCT
admet-729	89	4	+	+	NOUN
admet-729	89	5	rit	rit	NOUN
admet-729	89	6	”	"	PUNCT
admet-729	89	7	symbolizes	symbolize	VERB
admet-729	89	8	the	the	DET
admet-729	89	9	presence	presence	NOUN
admet-729	89	10	of	of	ADP
admet-729	89	11	ritonavir	ritonavir	PROPN
admet-729	89	12	at	at	ADP
admet-729	89	13	the	the	DET
admet-729	89	14	active	active	ADJ
admet-729	89	15	site	site	NOUN
admet-729	89	16	,	,	PUNCT
admet-729	89	17	regardless	regardless	ADV
admet-729	89	18	whether	whether	SCONJ
admet-729	89	19	the	the	DET
admet-729	89	20	position	position	NOUN
admet-729	89	21	of	of	ADP
admet-729	89	22	rit	rit	NOUN
admet-729	89	23	was	be	AUX
admet-729	89	24	taken	take	VERB
admet-729	89	25	from	from	ADP
admet-729	89	26	crystal	crystal	NOUN
admet-729	89	27	positions	position	NOUN
admet-729	89	28	or	or	CCONJ
admet-729	89	29	computed	compute	VERB
admet-729	89	30	.	.	PUNCT
admet-729	90	1	the	the	DET
admet-729	90	2	“	"	PUNCT
admet-729	90	3	-rit	-rit	NOUN
admet-729	90	4	”	"	PUNCT
admet-729	90	5	(	(	PUNCT
admet-729	90	6	minus	minus	CCONJ
admet-729	90	7	ligand	ligand	NOUN
admet-729	90	8	)	)	PUNCT
admet-729	90	9	was	be	AUX
admet-729	90	10	used	use	VERB
admet-729	90	11	in	in	ADP
admet-729	90	12	case	case	NOUN
admet-729	90	13	of	of	ADP
admet-729	90	14	unliganded	unliganded	ADJ
admet-729	90	15	enzymes	enzyme	NOUN
admet-729	90	16	,	,	PUNCT
admet-729	90	17	i.e.	i.e.	X
admet-729	90	18	the	the	DET
admet-729	90	19	ligand	ligand	NOUN
admet-729	90	20	is	be	AUX
admet-729	90	21	absence	absence	NOUN
admet-729	90	22	.	.	PUNCT
admet-729	91	1	complexed	complexe	VERB
admet-729	91	2	enzyme	enzyme	NOUN
admet-729	91	3	uncomplexed	uncomplexe	VERB
admet-729	91	4	enzyme	enzyme	NOUN
admet-729	91	5	observed	observe	VERB
admet-729	91	6	(	(	PUNCT
admet-729	91	7	x	x	NOUN
admet-729	91	8	-	-	NOUN
admet-729	91	9	ray	ray	NOUN
admet-729	91	10	)	)	PUNCT
admet-729	91	11	systems	systems	PROPN
admet-729	91	12	pdb	pdb	PROPN
admet-729	91	13	code	code	PROPN
admet-729	91	14	:	:	PUNCT
admet-729	92	1	3nxu	3nxu	NUM
admet-729	92	2	,	,	PUNCT
admet-729	92	3	liganded	liganded	ADJ
admet-729	92	4	receptor	receptor	NOUN
admet-729	92	5	,	,	PUNCT
admet-729	92	6	the	the	DET
admet-729	92	7	ligand	ligand	NOUN
admet-729	92	8	is	be	AUX
admet-729	92	9	ritonavir	ritonavir	PRON
admet-729	92	10	:	:	PUNCT
admet-729	92	11	(	(	PUNCT
admet-729	92	12	i	i	NOUN
admet-729	92	13	)	)	PUNCT
admet-729	92	14	3nxu+rit	3nxu+rit	NUM
admet-729	92	15	pdb	pdb	PROPN
admet-729	92	16	code	code	NOUN
admet-729	92	17	:	:	PUNCT
admet-729	92	18	1tqn	1tqn	NUM
admet-729	92	19	,	,	PUNCT
admet-729	92	20	unliganded	unligande	VERB
admet-729	92	21	receptor	receptor	NOUN
admet-729	92	22	:	:	PUNCT
admet-729	92	23	(	(	PUNCT
admet-729	92	24	ii	ii	NOUN
admet-729	92	25	)	)	PUNCT
admet-729	92	26	1tqn	1tqn	NUM
admet-729	92	27	-	-	PUNCT
admet-729	92	28	rit	rit	NOUN
admet-729	92	29	modeled	model	VERB
admet-729	92	30	systems	system	NOUN
admet-729	92	31	(	(	PUNCT
admet-729	92	32	iii	iii	NOUN
admet-729	92	33	)	)	PUNCT
admet-729	92	34	1tqn+rit	1tqn+rit	NUM
admet-729	92	35	(	(	PUNCT
admet-729	92	36	iv	iv	X
admet-729	92	37	)	)	PUNCT
admet-729	92	38	3nxu	3nxu	PROPN
admet-729	92	39	-	-	PUNCT
admet-729	92	40	rit	rit	NOUN
admet-729	92	41	descriptors	descriptor	NOUN
admet-729	92	42	and	and	CCONJ
admet-729	92	43	chemometrics	chemometric	NOUN
admet-729	92	44	for	for	ADP
admet-729	92	45	induced	induced	ADJ
admet-729	92	46	fit	fit	ADJ
admet-729	92	47	evaluation	evaluation	NOUN
admet-729	92	48	md	md	PROPN
admet-729	92	49	simulations	simulation	NOUN
admet-729	92	50	studied	study	VERB
admet-729	92	51	whether	whether	SCONJ
admet-729	92	52	the	the	DET
admet-729	92	53	geometries	geometry	NOUN
admet-729	92	54	of	of	ADP
admet-729	92	55	the	the	DET
admet-729	92	56	liganded	ligande	VERB
admet-729	92	57	or	or	CCONJ
admet-729	92	58	unliganded	unliganded	ADJ
admet-729	92	59	complexes	complex	NOUN
admet-729	92	60	will	will	AUX
admet-729	92	61	change	change	VERB
admet-729	92	62	during	during	ADP
admet-729	92	63	simulation	simulation	NOUN
admet-729	92	64	time	time	NOUN
admet-729	92	65	.	.	PUNCT
admet-729	93	1	whether	whether	SCONJ
admet-729	93	2	or	or	CCONJ
admet-729	93	3	not	not	PART
admet-729	93	4	the	the	DET
admet-729	93	5	model	model	NOUN
admet-729	93	6	conserves	conserve	NOUN
admet-729	93	7	or	or	CCONJ
admet-729	93	8	changes	change	VERB
admet-729	93	9	its	its	PRON
admet-729	93	10	overall	overall	ADJ
admet-729	93	11	structure	structure	NOUN
admet-729	93	12	can	can	AUX
admet-729	93	13	be	be	AUX
admet-729	93	14	measured	measure	VERB
admet-729	93	15	as	as	ADP
admet-729	93	16	rmsd	rmsd	NOUN
admet-729	93	17	comparing	compare	VERB
admet-729	93	18	the	the	DET
admet-729	93	19	crystals	crystal	NOUN
admet-729	93	20	geometries	geometry	NOUN
admet-729	93	21	to	to	ADP
admet-729	93	22	the	the	DET
admet-729	93	23	md	md	PROPN
admet-729	93	24	production	production	NOUN
admet-729	93	25	geometries	geometry	NOUN
admet-729	93	26	for	for	ADP
admet-729	93	27	the	the	DET
admet-729	93	28	liganded	ligande	VERB
admet-729	93	29	and	and	CCONJ
admet-729	93	30	unliganded	unliganded	ADJ
admet-729	93	31	complexes	complex	NOUN
admet-729	93	32	.	.	PUNCT
admet-729	94	1	the	the	DET
admet-729	94	2	rmsd	rmsd	NOUN
admet-729	94	3	is	be	AUX
admet-729	94	4	defined	define	VERB
admet-729	94	5	as	as	ADP
admet-729	94	6	:	:	SYM
admet-729	94	7	2	2	NUM
admet-729	94	8	1	1	NUM
admet-729	94	9	atomsn	atomsn	NOUN
admet-729	94	10	i	i	PRON
admet-729	94	11	i	i	PRON
admet-729	94	12	atoms	atom	NOUN
admet-729	94	13	rmsd	rmsd	VERB
admet-729	94	14	n	n	PRON
admet-729	95	1			NUM
admet-729	95	2			NUM
admet-729	95	3			X
admet-729	95	4	,	,	PUNCT
admet-729	95	5	admet	admet	PROPN
admet-729	95	6	&	&	CCONJ
admet-729	95	7	dmpk	dmpk	PROPN
admet-729	95	8	7(4	7(4	NUM
admet-729	95	9	)	)	PUNCT
admet-729	95	10	(	(	PUNCT
admet-729	95	11	2019	2019	NUM
admet-729	95	12	)	)	PUNCT
admet-729	95	13	252	252	NUM
admet-729	95	14	-	-	SYM
admet-729	95	15	266	266	NUM
admet-729	95	16	induced	induce	VERB
admet-729	95	17	fit	fit	NOUN
admet-729	95	18	of	of	ADP
admet-729	95	19	cyp3a4	cyp3a4	PROPN
admet-729	95	20	doi	doi	PROPN
admet-729	95	21	:	:	PUNCT
admet-729	95	22	10.5599	10.5599	NUM
admet-729	95	23	/	/	SYM
admet-729	95	24	admet.729	admet.729	NOUN
admet-729	95	25	257	257	NUM
admet-729	95	26	where	where	SCONJ
admet-729	95	27	δi	δi	PROPN
admet-729	95	28	is	be	AUX
admet-729	95	29	the	the	DET
admet-729	95	30	distance	distance	NOUN
admet-729	95	31	between	between	ADP
admet-729	95	32	the	the	DET
admet-729	95	33	atom	atom	NOUN
admet-729	95	34	i	i	PRON
admet-729	95	35	and	and	CCONJ
admet-729	95	36	the	the	DET
admet-729	95	37	reference	reference	NOUN
admet-729	95	38	atom	atom	NOUN
admet-729	95	39	.	.	PUNCT
admet-729	96	1	using	use	VERB
admet-729	96	2	existing	exist	VERB
admet-729	96	3	computational	computational	ADJ
admet-729	96	4	tools	tool	NOUN
admet-729	96	5	,	,	PUNCT
admet-729	96	6	it	it	PRON
admet-729	96	7	is	be	AUX
admet-729	96	8	possible	possible	ADJ
admet-729	96	9	to	to	PART
admet-729	96	10	measure	measure	VERB
admet-729	96	11	descriptors	descriptor	NOUN
admet-729	96	12	of	of	ADP
admet-729	96	13	the	the	DET
admet-729	96	14	active	active	ADJ
admet-729	96	15	site	site	NOUN
admet-729	96	16	that	that	PRON
admet-729	96	17	allow	allow	VERB
admet-729	96	18	us	we	PRON
admet-729	96	19	to	to	PART
admet-729	96	20	correlate	correlate	VERB
admet-729	96	21	the	the	DET
admet-729	96	22	induced	induced	ADJ
admet-729	96	23	fit	fit	ADJ
admet-729	96	24	effects	effect	NOUN
admet-729	96	25	with	with	ADP
admet-729	96	26	its	its	PRON
admet-729	96	27	biological	biological	ADJ
admet-729	96	28	activities	activity	NOUN
admet-729	96	29	.	.	PUNCT
admet-729	97	1	the	the	DET
admet-729	97	2	vmd	vmd	PROPN
admet-729	97	3	software	software	NOUN
admet-729	97	4	was	be	AUX
admet-729	97	5	used	use	VERB
admet-729	97	6	to	to	PART
admet-729	97	7	calculate	calculate	VERB
admet-729	97	8	the	the	DET
admet-729	97	9	measurements	measurement	NOUN
admet-729	97	10	between	between	ADP
admet-729	97	11	the	the	DET
admet-729	97	12	model	model	NOUN
admet-729	97	13	complexes	complexe	VERB
admet-729	97	14	[	[	X
admet-729	97	15	35	35	NUM
admet-729	97	16	]	]	SYM
admet-729	97	17	.	.	PUNCT
admet-729	98	1	parameterization	parameterization	NOUN
admet-729	98	2	and	and	CCONJ
admet-729	98	3	molecular	molecular	ADJ
admet-729	98	4	dynamics	dynamic	NOUN
admet-729	98	5	namd	namd	NOUN
admet-729	99	1	[	[	X
admet-729	99	2	36	36	NUM
admet-729	99	3	]	]	X
admet-729	99	4	software	software	NOUN
admet-729	99	5	was	be	AUX
admet-729	99	6	used	use	VERB
admet-729	99	7	with	with	ADP
admet-729	99	8	charmm27	charmm27	NOUN
admet-729	99	9	force	force	NOUN
admet-729	99	10	field	field	NOUN
admet-729	99	11	[	[	X
admet-729	99	12	37	37	NUM
admet-729	99	13	]	]	PUNCT
admet-729	99	14	and	and	CCONJ
admet-729	99	15	displayed	display	VERB
admet-729	99	16	by	by	ADP
admet-729	99	17	vmd	vmd	PROPN
admet-729	100	1	[	[	X
admet-729	100	2	35	35	NUM
admet-729	100	3	]	]	PUNCT
admet-729	100	4	to	to	PART
admet-729	100	5	carry	carry	VERB
admet-729	100	6	out	out	ADP
admet-729	100	7	the	the	DET
admet-729	100	8	md	md	PROPN
admet-729	100	9	runs	run	NOUN
admet-729	100	10	and	and	CCONJ
admet-729	100	11	the	the	DET
admet-729	100	12	equilibration	equilibration	NOUN
admet-729	100	13	described	describe	VERB
admet-729	100	14	above	above	ADV
admet-729	100	15	.	.	PUNCT
admet-729	101	1	the	the	DET
admet-729	101	2	four	four	NUM
admet-729	101	3	input	input	NOUN
admet-729	101	4	models	model	NOUN
admet-729	101	5	described	describe	VERB
admet-729	101	6	in	in	ADP
admet-729	101	7	table	table	NOUN
admet-729	101	8	1	1	NUM
admet-729	101	9	were	be	AUX
admet-729	101	10	solvated	solvate	VERB
admet-729	101	11	in	in	ADP
admet-729	101	12	a	a	DET
admet-729	101	13	cubic	cubic	ADJ
admet-729	101	14	water	water	NOUN
admet-729	101	15	box	box	NOUN
admet-729	101	16	with	with	ADP
admet-729	101	17	the	the	DET
admet-729	101	18	water	water	NOUN
admet-729	101	19	model	model	NOUN
admet-729	101	20	tip3p	tip3p	X
admet-729	101	21	(	(	PUNCT
admet-729	101	22	1	1	NUM
admet-729	101	23	nm	nm	NOUN
admet-729	101	24	)	)	PUNCT
admet-729	101	25	.	.	PUNCT
admet-729	102	1	the	the	DET
admet-729	102	2	periodic	periodic	ADJ
admet-729	102	3	boundary	boundary	ADJ
admet-729	102	4	conditions	condition	NOUN
admet-729	102	5	were	be	AUX
admet-729	102	6	applied	apply	VERB
admet-729	102	7	in	in	ADP
admet-729	102	8	all	all	DET
admet-729	102	9	directions	direction	NOUN
admet-729	102	10	.	.	PUNCT
admet-729	103	1	the	the	DET
admet-729	103	2	parameters	parameter	NOUN
admet-729	103	3	for	for	ADP
admet-729	103	4	heme	heme	ADJ
admet-729	103	5	central	central	ADJ
admet-729	103	6	atom	atom	NOUN
admet-729	103	7	(	(	PUNCT
admet-729	103	8	fe	fe	NOUN
admet-729	103	9	)	)	PUNCT
admet-729	103	10	were	be	AUX
admet-729	103	11	set	set	VERB
admet-729	103	12	to	to	PART
admet-729	103	13	coordinate	coordinate	VERB
admet-729	103	14	oxygen	oxygen	NOUN
admet-729	103	15	moieties	moiety	NOUN
admet-729	103	16	at	at	ADP
admet-729	103	17	2.5	2.5	NUM
admet-729	103	18	å	å	NOUN
admet-729	104	1	[	[	X
admet-729	104	2	38	38	NUM
admet-729	104	3	-	-	SYM
admet-729	104	4	40	40	NUM
admet-729	104	5	]	]	PUNCT
admet-729	104	6	,	,	PUNCT
admet-729	104	7	and	and	CCONJ
admet-729	104	8	thereby	thereby	ADV
admet-729	104	9	maintaining	maintain	VERB
admet-729	104	10	a	a	DET
admet-729	104	11	neutral	neutral	ADJ
admet-729	104	12	charge	charge	NOUN
admet-729	104	13	between	between	ADP
admet-729	104	14	fe	fe	NOUN
admet-729	104	15	and	and	CCONJ
admet-729	104	16	o	o	NOUN
admet-729	104	17	with	with	ADP
admet-729	104	18	q=	q=	ADV
admet-729	104	19	+2	+2	PROPN
admet-729	104	20	and	and	CCONJ
admet-729	104	21	-2	-2	INTJ
admet-729	104	22	,	,	PUNCT
admet-729	104	23	respectively	respectively	ADV
admet-729	104	24	.	.	PUNCT
admet-729	105	1	of	of	ADP
admet-729	105	2	note	note	VERB
admet-729	105	3	heme	heme	NOUN
admet-729	105	4	group	group	NOUN
admet-729	105	5	atoms	atom	NOUN
admet-729	105	6	and	and	CCONJ
admet-729	105	7	reactive	reactive	ADJ
admet-729	105	8	oxygen	oxygen	NOUN
admet-729	105	9	as	as	SCONJ
admet-729	105	10	a	a	DET
admet-729	105	11	distal	distal	ADJ
admet-729	105	12	coordinated	coordinated	ADJ
admet-729	105	13	moiety	moiety	NOUN
admet-729	105	14	were	be	AUX
admet-729	105	15	fixed	fix	VERB
admet-729	105	16	in	in	ADP
admet-729	105	17	their	their	PRON
admet-729	105	18	experimentally	experimentally	ADV
admet-729	105	19	observed	observe	VERB
admet-729	105	20	positions	position	NOUN
admet-729	105	21	as	as	ADP
admet-729	105	22	a	a	DET
admet-729	105	23	positional	positional	ADJ
admet-729	105	24	reference	reference	NOUN
admet-729	105	25	to	to	PART
admet-729	105	26	analyze	analyze	VERB
admet-729	105	27	md	md	PROPN
admet-729	105	28	runs	run	NOUN
admet-729	105	29	.	.	PUNCT
admet-729	106	1	there	there	PRON
admet-729	106	2	were	be	VERB
admet-729	106	3	100000	100000	NUM
admet-729	106	4	steps	step	NOUN
admet-729	106	5	of	of	ADP
admet-729	106	6	energy	energy	NOUN
admet-729	106	7	minimization	minimization	NOUN
admet-729	106	8	for	for	ADP
admet-729	106	9	all	all	DET
admet-729	106	10	atomic	atomic	ADJ
admet-729	106	11	coordinates	coordinate	NOUN
admet-729	106	12	.	.	PUNCT
admet-729	107	1	to	to	PART
admet-729	107	2	balance	balance	VERB
admet-729	107	3	each	each	DET
admet-729	107	4	model	model	NOUN
admet-729	107	5	the	the	DET
admet-729	107	6	temperature	temperature	NOUN
admet-729	107	7	was	be	AUX
admet-729	107	8	increased	increase	VERB
admet-729	107	9	from	from	ADP
admet-729	107	10	0	0	NUM
admet-729	107	11	k	k	PROPN
admet-729	107	12	to	to	ADP
admet-729	107	13	310	310	NUM
admet-729	107	14	k	k	NOUN
admet-729	107	15	gradually	gradually	ADV
admet-729	107	16	for	for	ADP
admet-729	107	17	0.25	0.25	NUM
admet-729	107	18	ns	ns	NOUN
admet-729	107	19	.	.	PUNCT
admet-729	108	1	in	in	ADP
admet-729	108	2	the	the	DET
admet-729	108	3	next	next	ADJ
admet-729	108	4	stage	stage	NOUN
admet-729	108	5	,	,	PUNCT
admet-729	108	6	the	the	DET
admet-729	108	7	balanced	balanced	ADJ
admet-729	108	8	systems	system	NOUN
admet-729	108	9	were	be	AUX
admet-729	108	10	subjected	subject	VERB
admet-729	108	11	to	to	ADP
admet-729	108	12	60	60	NUM
admet-729	108	13	ns	ns	NUM
admet-729	108	14	of	of	ADP
admet-729	108	15	production	production	NOUN
admet-729	108	16	time	time	NOUN
admet-729	108	17	at	at	ADP
admet-729	108	18	a	a	DET
admet-729	108	19	time	time	NOUN
admet-729	108	20	step	step	NOUN
admet-729	108	21	of	of	ADP
admet-729	108	22	2	2	NUM
admet-729	108	23	fs	f	NOUN
admet-729	108	24	at	at	ADP
admet-729	108	25	room	room	NOUN
admet-729	108	26	temperature	temperature	NOUN
admet-729	108	27	(	(	PUNCT
admet-729	108	28	310	310	NUM
admet-729	108	29	k	k	NOUN
admet-729	108	30	)	)	PUNCT
admet-729	108	31	and	and	CCONJ
admet-729	108	32	normal	normal	ADJ
admet-729	108	33	pressure	pressure	NOUN
admet-729	108	34	(	(	PUNCT
admet-729	108	35	1	1	NUM
admet-729	108	36	atm	atm	NOUN
admet-729	108	37	)	)	PUNCT
admet-729	108	38	.	.	PUNCT
admet-729	109	1	analysis	analysis	NOUN
admet-729	109	2	of	of	ADP
admet-729	109	3	the	the	DET
admet-729	109	4	results	result	NOUN
admet-729	109	5	once	once	SCONJ
admet-729	109	6	the	the	DET
admet-729	109	7	md	md	PROPN
admet-729	109	8	simulations	simulation	NOUN
admet-729	109	9	were	be	AUX
admet-729	109	10	performed	perform	VERB
admet-729	109	11	,	,	PUNCT
admet-729	109	12	it	it	PRON
admet-729	109	13	was	be	AUX
admet-729	109	14	expected	expect	VERB
admet-729	109	15	that	that	SCONJ
admet-729	109	16	the	the	DET
admet-729	109	17	md	md	PROPN
admet-729	109	18	geometries	geometry	NOUN
admet-729	109	19	of	of	ADP
admet-729	109	20	the	the	DET
admet-729	109	21	liganded	ligande	VERB
admet-729	109	22	and	and	CCONJ
admet-729	109	23	unliganded	unligande	VERB
admet-729	109	24	input	input	NOUN
admet-729	109	25	models	model	NOUN
admet-729	109	26	will	will	AUX
admet-729	109	27	merge	merge	VERB
admet-729	109	28	into	into	ADP
admet-729	109	29	similar	similar	ADJ
admet-729	109	30	geometries	geometry	NOUN
admet-729	109	31	of	of	ADP
admet-729	109	32	the	the	DET
admet-729	109	33	crystal	crystal	NOUN
admet-729	109	34	structures	structure	NOUN
admet-729	109	35	3nxu	3nxu	PROPN
admet-729	109	36	or	or	CCONJ
admet-729	109	37	1tqn	1tqn	NUM
admet-729	109	38	.	.	PUNCT
admet-729	110	1	in	in	ADP
admet-729	110	2	turn	turn	NOUN
admet-729	110	3	,	,	PUNCT
admet-729	110	4	it	it	PRON
admet-729	110	5	was	be	AUX
admet-729	110	6	also	also	ADV
admet-729	110	7	expected	expect	VERB
admet-729	110	8	that	that	SCONJ
admet-729	110	9	both	both	DET
admet-729	110	10	liganded	ligande	VERB
admet-729	110	11	models	model	NOUN
admet-729	110	12	undergo	undergo	VERB
admet-729	110	13	restricted	restricted	ADJ
admet-729	110	14	movements	movement	NOUN
admet-729	110	15	of	of	ADP
admet-729	110	16	their	their	PRON
admet-729	110	17	side	side	NOUN
admet-729	110	18	chains	chain	NOUN
admet-729	110	19	,	,	PUNCT
admet-729	110	20	seen	see	VERB
admet-729	110	21	as	as	ADP
admet-729	110	22	smaller	small	ADJ
admet-729	110	23	rmsd	rmsd	NOUN
admet-729	110	24	values	value	NOUN
admet-729	110	25	.	.	PUNCT
admet-729	111	1	the	the	DET
admet-729	111	2	two	two	NUM
admet-729	111	3	models	model	NOUN
admet-729	111	4	without	without	ADP
admet-729	111	5	substrate	substrate	NOUN
admet-729	111	6	would	would	AUX
admet-729	111	7	be	be	AUX
admet-729	111	8	similar	similar	ADJ
admet-729	111	9	to	to	ADP
admet-729	111	10	crystal	crystal	NOUN
admet-729	111	11	structure	structure	NOUN
admet-729	111	12	1tqn	1tqn	NUM
admet-729	111	13	.	.	PUNCT
admet-729	112	1	but	but	CCONJ
admet-729	112	2	with	with	ADP
admet-729	112	3	smaller	small	ADJ
admet-729	112	4	rmsd	rmsd	NOUN
admet-729	112	5	values	value	NOUN
admet-729	112	6	for	for	ADP
admet-729	112	7	the	the	DET
admet-729	112	8	unliganded	unligande	VERB
admet-729	112	9	model	model	NOUN
admet-729	112	10	based	base	VERB
admet-729	112	11	on	on	ADP
admet-729	112	12	the	the	DET
admet-729	112	13	originally	originally	ADV
admet-729	112	14	unliganded	unligande	VERB
admet-729	112	15	1tqn	1tqn	NUM
admet-729	112	16	,	,	PUNCT
admet-729	112	17	and	and	CCONJ
admet-729	112	18	conversely	conversely	ADV
admet-729	112	19	the	the	DET
admet-729	112	20	need	need	NOUN
admet-729	112	21	of	of	ADP
admet-729	112	22	larger	large	ADJ
admet-729	112	23	rearrangements	rearrangement	NOUN
admet-729	112	24	in	in	ADP
admet-729	112	25	space	space	NOUN
admet-729	112	26	(	(	PUNCT
admet-729	112	27	more	more	ADJ
admet-729	112	28	mobility	mobility	NOUN
admet-729	112	29	)	)	PUNCT
admet-729	112	30	with	with	ADP
admet-729	112	31	fairly	fairly	ADV
admet-729	112	32	higher	high	ADJ
admet-729	112	33	rmsd	rmsd	ADJ
admet-729	112	34	values	value	NOUN
admet-729	112	35	of	of	ADP
admet-729	112	36	the	the	DET
admet-729	112	37	unliganded	unliganded	ADJ
admet-729	112	38	model	model	NOUN
admet-729	112	39	stemming	stem	VERB
admet-729	112	40	from	from	ADP
admet-729	112	41	the	the	DET
admet-729	112	42	originally	originally	ADV
admet-729	112	43	liganded	ligande	VERB
admet-729	112	44	3nxu	3nxu	NOUN
admet-729	112	45	(	(	PUNCT
admet-729	112	46	table	table	NOUN
admet-729	112	47	2	2	NUM
admet-729	112	48	)	)	PUNCT
admet-729	112	49	.	.	PUNCT
admet-729	112	50	table	table	NOUN
admet-729	112	51	2	2	NUM
admet-729	112	52	.	.	PUNCT
admet-729	113	1	the	the	DET
admet-729	113	2	four	four	NUM
admet-729	113	3	md	md	PROPN
admet-729	113	4	simulations	simulation	NOUN
admet-729	113	5	and	and	CCONJ
admet-729	113	6	their	their	PRON
admet-729	113	7	expected	expect	VERB
admet-729	113	8	outcome	outcome	NOUN
admet-729	113	9	in	in	ADP
admet-729	113	10	terms	term	NOUN
admet-729	113	11	of	of	ADP
admet-729	113	12	end	end	NOUN
admet-729	113	13	geometries	geometry	NOUN
admet-729	113	14	.	.	PUNCT
admet-729	114	1	the	the	DET
admet-729	114	2	starting	starting	NOUN
admet-729	114	3	positions	position	NOUN
admet-729	114	4	are	be	AUX
admet-729	114	5	related	relate	VERB
admet-729	114	6	with	with	ADP
admet-729	114	7	table	table	NOUN
admet-729	114	8	1	1	NUM
admet-729	114	9	.	.	PUNCT
admet-729	114	10	comparison	comparison	NOUN
admet-729	114	11	of	of	ADP
admet-729	114	12	the	the	DET
admet-729	114	13	protein	protein	NOUN
admet-729	114	14	structures	structure	NOUN
admet-729	114	15	of	of	ADP
admet-729	114	16	the	the	DET
admet-729	114	17	four	four	NUM
admet-729	114	18	systems	system	NOUN
admet-729	114	19	after	after	SCONJ
admet-729	114	20	the	the	DET
admet-729	114	21	md	md	PROPN
admet-729	114	22	run	run	VERB
admet-729	114	23	with	with	ADP
admet-729	114	24	the	the	DET
admet-729	114	25	original	original	ADJ
admet-729	114	26	protein	protein	NOUN
admet-729	114	27	structures	structure	NOUN
admet-729	114	28	of	of	ADP
admet-729	114	29	the	the	DET
admet-729	114	30	crystals	crystal	NOUN
admet-729	114	31	reported	report	VERB
admet-729	114	32	in	in	ADP
admet-729	114	33	pdb	pdb	PROPN
admet-729	114	34	1tqn	1tqn	NUM
admet-729	114	35	and	and	CCONJ
admet-729	114	36	3nxu	3nxu	NOUN
admet-729	114	37	.	.	PUNCT
admet-729	115	1	type	type	NOUN
admet-729	115	2	of	of	ADP
admet-729	115	3	3d	3d	NOUN
admet-729	115	4	-	-	PUNCT
admet-729	115	5	model	model	NOUN
admet-729	115	6	start	start	NOUN
admet-729	115	7	geometry	geometry	NOUN
admet-729	115	8	(	(	PUNCT
admet-729	115	9	system	system	NOUN
admet-729	115	10	)	)	PUNCT
admet-729	115	11	enzyme	enzyme	NOUN
admet-729	115	12	geometric	geometric	ADJ
admet-729	115	13	similarity	similarity	NOUN
admet-729	115	14	with	with	ADP
admet-729	115	15	pdb	pdb	PROPN
admet-729	115	16	interpretation	interpretation	NOUN
admet-729	115	17	liganded	ligande	VERB
admet-729	115	18	enzyme	enzyme	NOUN
admet-729	115	19	(	(	PUNCT
admet-729	115	20	iii	iii	NOUN
admet-729	115	21	)	)	PUNCT
admet-729	115	22	1tqn+rit	1tqn+rit	NUM
admet-729	115	23	3nxu	3nxu	NUM
admet-729	115	24	induced	induce	VERB
admet-729	115	25	fit	fit	ADJ
admet-729	115	26	liganded	ligande	VERB
admet-729	115	27	enzyme	enzyme	NOUN
admet-729	115	28	(	(	PUNCT
admet-729	115	29	iii	iii	NOUN
admet-729	115	30	)	)	PUNCT
admet-729	115	31	1tqn+rit	1tqn+rit	NUM
admet-729	115	32	1tqn	1tqn	NUM
admet-729	116	1	no	no	DET
admet-729	116	2	induced	induce	VERB
admet-729	116	3	fit	fit	ADJ
admet-729	116	4	liganded	ligande	VERB
admet-729	116	5	enzyme	enzyme	NOUN
admet-729	116	6	(	(	PUNCT
admet-729	116	7	i	i	NOUN
admet-729	116	8	)	)	PUNCT
admet-729	116	9	3nxu+rit	3nxu+rit	NUM
admet-729	116	10	1tqn	1tqn	NUM
admet-729	117	1	no	no	DET
admet-729	117	2	induced	induce	VERB
admet-729	117	3	fit	fit	ADJ
admet-729	117	4	liganded	ligande	VERB
admet-729	117	5	enzyme	enzyme	NOUN
admet-729	117	6	(	(	PUNCT
admet-729	117	7	i	i	NOUN
admet-729	117	8	)	)	PUNCT
admet-729	117	9	3nxu+rit	3nxu+rit	NUM
admet-729	118	1	3nxu	3nxu	NUM
admet-729	118	2	induced	induce	VERB
admet-729	118	3	fit	fit	ADJ
admet-729	118	4	unliganded	unligande	VERB
admet-729	118	5	enzyme	enzyme	NOUN
admet-729	118	6	(	(	PUNCT
admet-729	118	7	iv	iv	X
admet-729	118	8	)	)	PUNCT
admet-729	118	9	3nxu	3nxu	PROPN
admet-729	118	10	-	-	PUNCT
admet-729	118	11	rit	rit	NOUN
admet-729	118	12	1tqn	1tqn	NUM
admet-729	118	13	induced	induce	VERB
admet-729	118	14	fit	fit	ADJ
admet-729	118	15	unliganded	unligande	VERB
admet-729	118	16	enzyme	enzyme	NOUN
admet-729	118	17	(	(	PUNCT
admet-729	118	18	iv	iv	X
admet-729	118	19	)	)	PUNCT
admet-729	118	20	3nxu	3nxu	PROPN
admet-729	118	21	-	-	PUNCT
admet-729	118	22	rit	rit	NOUN
admet-729	118	23	3nxu	3nxu	NOUN
admet-729	118	24	no	no	DET
admet-729	118	25	induced	induced	ADJ
admet-729	118	26	fit	fit	ADJ
admet-729	118	27	unliganded	unligande	VERB
admet-729	118	28	enzyme	enzyme	NOUN
admet-729	118	29	(	(	PUNCT
admet-729	118	30	ii	ii	NOUN
admet-729	118	31	)	)	PUNCT
admet-729	118	32	1tqn	1tqn	NUM
admet-729	118	33	-	-	PUNCT
admet-729	118	34	rit	rit	NOUN
admet-729	118	35	3nxu	3nxu	NOUN
admet-729	118	36	no	no	DET
admet-729	118	37	induced	induced	ADJ
admet-729	118	38	fit	fit	ADJ
admet-729	118	39	unliganded	unligande	VERB
admet-729	118	40	enzyme	enzyme	NOUN
admet-729	118	41	(	(	PUNCT
admet-729	118	42	ii	ii	NOUN
admet-729	118	43	)	)	PUNCT
admet-729	118	44	1tqn	1tqn	NUM
admet-729	118	45	-	-	PUNCT
admet-729	118	46	rit	rit	NOUN
admet-729	118	47	1tqn	1tqn	NUM
admet-729	118	48	induced	induce	VERB
admet-729	118	49	fit	fit	ADJ
admet-729	118	50	so	so	ADV
admet-729	118	51	far	far	ADV
admet-729	118	52	,	,	PUNCT
admet-729	118	53	our	our	PRON
admet-729	118	54	analysis	analysis	NOUN
admet-729	118	55	does	do	AUX
admet-729	118	56	not	not	PART
admet-729	118	57	account	account	VERB
admet-729	118	58	for	for	ADP
admet-729	118	59	trajectory	trajectory	NOUN
admet-729	118	60	differences	difference	NOUN
admet-729	118	61	.	.	PUNCT
admet-729	119	1	to	to	PART
admet-729	119	2	tackle	tackle	VERB
admet-729	119	3	this	this	DET
admet-729	119	4	issue	issue	NOUN
admet-729	119	5	,	,	PUNCT
admet-729	119	6	too	too	ADV
admet-729	119	7	,	,	PUNCT
admet-729	119	8	we	we	PRON
admet-729	119	9	compared	compare	VERB
admet-729	119	10	rmsd	rmsd	VERB
admet-729	119	11	in	in	ADP
admet-729	119	12	a	a	DET
admet-729	119	13	pair	pair	NOUN
admet-729	119	14	-	-	PUNCT
admet-729	119	15	wise	wise	ADJ
admet-729	119	16	manner	manner	NOUN
admet-729	119	17	between	between	ADP
admet-729	119	18	the	the	DET
admet-729	119	19	four	four	NUM
admet-729	119	20	md	md	PROPN
admet-729	119	21	models	model	NOUN
admet-729	119	22	to	to	PART
admet-729	119	23	detect	detect	VERB
admet-729	119	24	some	some	DET
admet-729	119	25	portion	portion	NOUN
admet-729	119	26	of	of	ADP
admet-729	119	27	induced	induced	ADJ
admet-729	119	28	fit	fit	NOUN
admet-729	119	29	.	.	PUNCT
admet-729	120	1	after	after	ADV
admet-729	120	2	all	all	ADV
admet-729	120	3	,	,	PUNCT
admet-729	120	4	the	the	DET
admet-729	120	5	two	two	NUM
admet-729	120	6	molecular	molecular	ADJ
admet-729	120	7	systems	system	NOUN
admet-729	120	8	with	with	ADP
admet-729	120	9	ritonavir	ritonavir	PROPN
admet-729	120	10	had	have	VERB
admet-729	120	11	to	to	PART
admet-729	120	12	show	show	VERB
admet-729	120	13	higher	high	ADJ
admet-729	120	14	similarities	similarity	NOUN
admet-729	120	15	compared	compare	VERB
admet-729	120	16	the	the	DET
admet-729	120	17	two	two	NUM
admet-729	120	18	models	model	NOUN
admet-729	120	19	without	without	ADP
admet-729	120	20	it	it	PRON
admet-729	120	21	.	.	PUNCT
admet-729	121	1	quiroga	quiroga	PROPN
admet-729	121	2	and	and	CCONJ
admet-729	121	3	scior	scior	PROPN
admet-729	121	4	admet	admet	PROPN
admet-729	121	5	&	&	CCONJ
admet-729	121	6	dmpk	dmpk	PROPN
admet-729	121	7	7(4	7(4	NUM
admet-729	121	8	)	)	PUNCT
admet-729	121	9	(	(	PUNCT
admet-729	121	10	2019	2019	NUM
admet-729	121	11	)	)	PUNCT
admet-729	121	12	252	252	NUM
admet-729	121	13	-	-	SYM
admet-729	121	14	266	266	NUM
admet-729	121	15	258	258	NUM
admet-729	121	16	the	the	DET
admet-729	121	17	cross	cross	ADJ
admet-729	121	18	-	-	ADJ
admet-729	121	19	over	over	ADJ
admet-729	121	20	study	study	NOUN
admet-729	121	21	design	design	NOUN
admet-729	121	22	and	and	CCONJ
admet-729	121	23	the	the	DET
admet-729	121	24	pairwise	pairwise	NOUN
admet-729	121	25	rmsd	rmsd	NOUN
admet-729	121	26	comparison	comparison	NOUN
admet-729	121	27	helped	help	VERB
admet-729	121	28	assessing	assess	VERB
admet-729	121	29	the	the	DET
admet-729	121	30	mobility	mobility	NOUN
admet-729	121	31	or	or	CCONJ
admet-729	121	32	rigidity	rigidity	NOUN
admet-729	121	33	effect	effect	NOUN
admet-729	121	34	that	that	SCONJ
admet-729	121	35	the	the	DET
admet-729	121	36	substrate	substrate	NOUN
admet-729	121	37	had	have	AUX
admet-729	121	38	on	on	ADP
admet-729	121	39	human	human	ADJ
admet-729	121	40	cyp3a4	cyp3a4	NOUN
admet-729	121	41	.	.	PUNCT
admet-729	122	1	as	as	ADP
admet-729	122	2	a	a	DET
admet-729	122	3	most	most	ADV
admet-729	122	4	valuable	valuable	ADJ
admet-729	122	5	asset	asset	NOUN
admet-729	122	6	,	,	PUNCT
admet-729	122	7	the	the	DET
admet-729	122	8	approach	approach	NOUN
admet-729	122	9	allows	allow	VERB
admet-729	122	10	not	not	PART
admet-729	122	11	only	only	ADV
admet-729	122	12	evaluating	evaluate	VERB
admet-729	122	13	the	the	DET
admet-729	122	14	effect	effect	NOUN
admet-729	122	15	of	of	ADP
admet-729	122	16	initial	initial	ADJ
admet-729	122	17	positions	position	NOUN
admet-729	122	18	of	of	ADP
admet-729	122	19	the	the	DET
admet-729	122	20	crystal	crystal	NOUN
admet-729	122	21	atoms	atom	NOUN
admet-729	122	22	in	in	ADP
admet-729	122	23	the	the	DET
admet-729	122	24	md	md	PROPN
admet-729	122	25	studies	study	NOUN
admet-729	122	26	but	but	CCONJ
admet-729	122	27	also	also	ADV
admet-729	122	28	testing	test	VERB
admet-729	122	29	the	the	DET
admet-729	122	30	extent	extent	NOUN
admet-729	122	31	of	of	ADP
admet-729	122	32	conformational	conformational	ADJ
admet-729	122	33	changes	change	NOUN
admet-729	122	34	with	with	ADP
admet-729	122	35	the	the	DET
admet-729	122	36	subsequent	subsequent	ADJ
admet-729	122	37	interpretation	interpretation	NOUN
admet-729	122	38	as	as	SCONJ
admet-729	122	39	induced	induce	VERB
admet-729	122	40	fit	fit	ADJ
admet-729	122	41	for	for	ADP
admet-729	122	42	the	the	DET
admet-729	122	43	enzymatic	enzymatic	ADJ
admet-729	122	44	activities	activity	NOUN
admet-729	122	45	of	of	ADP
admet-729	122	46	cyp	cyp	ADJ
admet-729	122	47	targets	target	NOUN
admet-729	122	48	.	.	PUNCT
admet-729	123	1	results	result	NOUN
admet-729	123	2	and	and	CCONJ
admet-729	123	3	discussion	discussion	VERB
admet-729	123	4	the	the	DET
admet-729	123	5	spatial	spatial	ADJ
admet-729	123	6	difference	difference	NOUN
admet-729	123	7	between	between	ADP
admet-729	123	8	a	a	DET
admet-729	123	9	pair	pair	NOUN
admet-729	123	10	of	of	ADP
admet-729	123	11	corresponding	correspond	VERB
admet-729	123	12	crystal	crystal	NOUN
admet-729	123	13	structures	structure	NOUN
admet-729	123	14	(	(	PUNCT
admet-729	123	15	pdb	pdb	PROPN
admet-729	123	16	codes	code	VERB
admet-729	123	17	:	:	PUNCT
admet-729	123	18	1tqn	1tqn	NUM
admet-729	123	19	and	and	CCONJ
admet-729	123	20	3nxu	3nxu	NUM
admet-729	123	21	)	)	PUNCT
admet-729	123	22	was	be	AUX
admet-729	123	23	measured	measure	VERB
admet-729	123	24	in	in	ADP
admet-729	123	25	a	a	DET
admet-729	123	26	first	first	ADJ
admet-729	123	27	step	step	NOUN
admet-729	123	28	.	.	PUNCT
admet-729	124	1	effectively	effectively	ADV
admet-729	124	2	,	,	PUNCT
admet-729	124	3	the	the	DET
admet-729	124	4	pair	pair	NOUN
admet-729	124	5	constitutes	constitute	VERB
admet-729	124	6	one	one	NUM
admet-729	124	7	of	of	ADP
admet-729	124	8	the	the	DET
admet-729	124	9	rare	rare	ADJ
admet-729	124	10	cases	case	NOUN
admet-729	124	11	where	where	SCONJ
admet-729	124	12	the	the	DET
admet-729	124	13	same	same	ADJ
admet-729	124	14	cyp	cyp	ADJ
admet-729	124	15	enzyme	enzyme	NOUN
admet-729	124	16	is	be	AUX
admet-729	124	17	available	available	ADJ
admet-729	124	18	in	in	ADP
admet-729	124	19	liganded	ligande	VERB
admet-729	124	20	and	and	CCONJ
admet-729	124	21	unliganded	unligande	VERB
admet-729	124	22	states	state	NOUN
admet-729	124	23	such	such	ADJ
admet-729	124	24	that	that	SCONJ
admet-729	124	25	their	their	PRON
admet-729	124	26	geometrical	geometrical	ADJ
admet-729	124	27	difference	difference	NOUN
admet-729	124	28	can	can	AUX
admet-729	124	29	be	be	AUX
admet-729	124	30	interpreted	interpret	VERB
admet-729	124	31	as	as	ADP
admet-729	124	32	induced	induce	VERB
admet-729	124	33	fit	fit	ADJ
admet-729	124	34	after	after	ADP
admet-729	124	35	reducing	reduce	VERB
admet-729	124	36	crystal	crystal	NOUN
admet-729	124	37	package	package	NOUN
admet-729	124	38	strain	strain	VERB
admet-729	124	39	energies	energy	NOUN
admet-729	124	40	by	by	ADP
admet-729	124	41	relaxation	relaxation	NOUN
admet-729	124	42	to	to	ADP
admet-729	124	43	equilibrium	equilibrium	NOUN
admet-729	124	44	state	state	NOUN
admet-729	124	45	under	under	ADP
admet-729	124	46	the	the	DET
admet-729	124	47	charmm	charmm	NOUN
admet-729	124	48	force	force	NOUN
admet-729	124	49	field	field	NOUN
admet-729	124	50	(	(	PUNCT
admet-729	124	51	cf	cf	NOUN
admet-729	124	52	.	.	PUNCT
admet-729	125	1	details	detail	NOUN
admet-729	125	2	about	about	ADP
admet-729	125	3	assumptions	assumption	NOUN
admet-729	125	4	or	or	CCONJ
admet-729	125	5	limitations	limitation	NOUN
admet-729	125	6	)	)	PUNCT
admet-729	125	7	.	.	PUNCT
admet-729	126	1	of	of	ADP
admet-729	126	2	note	note	NOUN
admet-729	126	3	,	,	PUNCT
admet-729	126	4	two	two	NUM
admet-729	126	5	rmsd	rmsd	NOUN
admet-729	126	6	types	type	NOUN
admet-729	126	7	were	be	AUX
admet-729	126	8	calculated	calculate	VERB
admet-729	126	9	:	:	PUNCT
admet-729	126	10	(	(	PUNCT
admet-729	126	11	i	i	NOUN
admet-729	126	12	)	)	PUNCT
admet-729	126	13	with	with	ADP
admet-729	126	14	only	only	ADJ
admet-729	126	15	main	main	ADJ
admet-729	126	16	chain	chain	NOUN
admet-729	126	17	atoms	atom	NOUN
admet-729	126	18	,	,	PUNCT
admet-729	126	19	or	or	CCONJ
admet-729	126	20	(	(	PUNCT
admet-729	126	21	ii	ii	NOUN
admet-729	126	22	)	)	PUNCT
admet-729	126	23	with	with	ADP
admet-729	126	24	all	all	DET
admet-729	126	25	atoms	atom	NOUN
admet-729	126	26	except	except	SCONJ
admet-729	126	27	hydrogen	hydrogen	NOUN
admet-729	126	28	atoms	atom	NOUN
admet-729	126	29	.	.	PUNCT
admet-729	127	1	both	both	DET
admet-729	127	2	types	type	NOUN
admet-729	127	3	of	of	ADP
admet-729	127	4	calculations	calculation	NOUN
admet-729	127	5	were	be	AUX
admet-729	127	6	carried	carry	VERB
admet-729	127	7	out	out	ADP
admet-729	127	8	on	on	ADP
admet-729	127	9	either	either	CCONJ
admet-729	127	10	the	the	DET
admet-729	127	11	entire	entire	ADJ
admet-729	127	12	protein	protein	NOUN
admet-729	127	13	or	or	CCONJ
admet-729	127	14	at	at	ADP
admet-729	127	15	the	the	DET
admet-729	127	16	active	active	ADJ
admet-729	127	17	site	site	NOUN
admet-729	127	18	.	.	PUNCT
admet-729	128	1	the	the	DET
admet-729	128	2	latter	latter	ADJ
admet-729	128	3	comprises	comprise	VERB
admet-729	128	4	the	the	DET
admet-729	128	5	literature	literature	NOUN
admet-729	128	6	-	-	PUNCT
admet-729	128	7	known	know	VERB
admet-729	128	8	segments	segment	NOUN
admet-729	128	9	from	from	ADP
admet-729	128	10	residue	residue	ADJ
admet-729	128	11	h54	h54	NOUN
admet-729	128	12	to	to	ADP
admet-729	128	13	f60	f60	NOUN
admet-729	128	14	,	,	PUNCT
admet-729	128	15	s100	s100	PROPN
admet-729	128	16	to	to	ADP
admet-729	128	17	e122	e122	NUM
admet-729	128	18	,	,	PUNCT
admet-729	128	19	t207	t207	PROPN
admet-729	128	20	to	to	ADP
admet-729	128	21	p218	p218	NUM
admet-729	128	22	,	,	PUNCT
admet-729	128	23	i238	i238	PROPN
admet-729	128	24	to	to	ADP
admet-729	128	25	e244	e244	PROPN
admet-729	128	26	,	,	PUNCT
admet-729	128	27	v296	v296	PROPN
admet-729	128	28	to	to	ADP
admet-729	128	29	s311	s311	PROPN
admet-729	128	30	and	and	CCONJ
admet-729	128	31	f367	f367	PROPN
admet-729	128	32	to	to	ADP
admet-729	128	33	r375	r375	PROPN
admet-729	128	34	.	.	PUNCT
admet-729	129	1	then	then	ADV
admet-729	129	2	,	,	PUNCT
admet-729	129	3	all	all	DET
admet-729	129	4	possible	possible	ADJ
admet-729	129	5	pairs	pair	NOUN
admet-729	129	6	of	of	ADP
admet-729	129	7	rmsd	rmsd	NOUN
admet-729	129	8	were	be	AUX
admet-729	129	9	compared	compare	VERB
admet-729	129	10	and	and	CCONJ
admet-729	129	11	special	special	ADJ
admet-729	129	12	attention	attention	NOUN
admet-729	129	13	drawn	draw	VERB
admet-729	129	14	to	to	ADP
admet-729	129	15	the	the	DET
admet-729	129	16	overall	overall	ADJ
admet-729	129	17	mobility	mobility	NOUN
admet-729	129	18	and	and	CCONJ
admet-729	129	19	the	the	DET
admet-729	129	20	f	f	PROPN
admet-729	129	21	-	-	PUNCT
admet-729	129	22	g	g	PROPN
admet-729	129	23	loop	loop	NOUN
admet-729	129	24	displacements	displacement	NOUN
admet-729	129	25	for	for	ADP
admet-729	129	26	substrate	substrate	NOUN
admet-729	129	27	recognition	recognition	NOUN
admet-729	129	28	(	(	PUNCT
admet-729	129	29	table	table	NOUN
admet-729	129	30	3	3	NUM
admet-729	129	31	)	)	PUNCT
admet-729	129	32	.	.	PUNCT
admet-729	130	1	the	the	DET
admet-729	130	2	geometrical	geometrical	ADJ
admet-729	130	3	changes	change	NOUN
admet-729	130	4	at	at	ADP
admet-729	130	5	the	the	DET
admet-729	130	6	active	active	ADJ
admet-729	130	7	sites	site	NOUN
admet-729	130	8	of	of	ADP
admet-729	130	9	1tqn	1tqn	NUM
admet-729	130	10	and	and	CCONJ
admet-729	130	11	3nxu	3nxu	PROPN
admet-729	130	12	were	be	AUX
admet-729	130	13	documented	document	VERB
admet-729	130	14	,	,	PUNCT
admet-729	130	15	too	too	ADV
admet-729	130	16	(	(	PUNCT
admet-729	130	17	table3	table3	PROPN
admet-729	130	18	)	)	PUNCT
admet-729	130	19	.	.	PUNCT
admet-729	131	1	both	both	PRON
admet-729	131	2	represent	represent	VERB
admet-729	131	3	the	the	DET
admet-729	131	4	same	same	ADJ
admet-729	131	5	enzyme	enzyme	NOUN
admet-729	131	6	,	,	PUNCT
admet-729	131	7	but	but	CCONJ
admet-729	131	8	their	their	PRON
admet-729	131	9	major	major	ADJ
admet-729	131	10	structural	structural	ADJ
admet-729	131	11	differences	difference	NOUN
admet-729	131	12	could	could	AUX
admet-729	131	13	be	be	AUX
admet-729	131	14	pinpointed	pinpoint	VERB
admet-729	131	15	to	to	ADP
admet-729	131	16	only	only	ADV
admet-729	131	17	those	those	DET
admet-729	131	18	residues	residue	NOUN
admet-729	131	19	which	which	PRON
admet-729	131	20	interacted	interact	VERB
admet-729	131	21	with	with	ADP
admet-729	131	22	ritonavir	ritonavir	PROPN
admet-729	131	23	.	.	PUNCT
admet-729	132	1	compared	compare	VERB
admet-729	132	2	region	region	NOUN
admet-729	132	3	rmsd	rmsd	NOUN
admet-729	132	4	value	value	NOUN
admet-729	132	5	(	(	PUNCT
admet-729	132	6	å	å	NOUN
admet-729	132	7	)	)	PUNCT
admet-729	132	8	the	the	DET
admet-729	132	9	whole	whole	ADJ
admet-729	132	10	protein	protein	NOUN
admet-729	132	11	1.6	1.6	NUM
admet-729	132	12	active	active	ADJ
admet-729	132	13	site	site	NOUN
admet-729	132	14	3.8	3.8	NUM
admet-729	132	15	table	table	NOUN
admet-729	132	16	3	3	NUM
admet-729	132	17	.	.	PUNCT
admet-729	133	1	the	the	DET
admet-729	133	2	computed	computed	ADJ
admet-729	133	3	value	value	NOUN
admet-729	133	4	of	of	ADP
admet-729	133	5	the	the	DET
admet-729	133	6	root	root	NOUN
admet-729	133	7	-	-	PUNCT
admet-729	133	8	mean	mean	NOUN
admet-729	133	9	square	square	ADJ
admet-729	133	10	distance	distance	NOUN
admet-729	133	11	(	(	PUNCT
admet-729	133	12	rmsd	rmsd	NOUN
admet-729	133	13	,	,	PUNCT
admet-729	133	14	in	in	ADP
admet-729	133	15	å	å	NOUN
admet-729	133	16	)	)	PUNCT
admet-729	133	17	between	between	ADP
admet-729	133	18	the	the	DET
admet-729	133	19	original	original	ADJ
admet-729	133	20	crystal	crystal	NOUN
admet-729	133	21	structures	structure	NOUN
admet-729	133	22	of	of	ADP
admet-729	133	23	pdb	pdb	PROPN
admet-729	133	24	1tqn	1tqn	NUM
admet-729	133	25	and	and	CCONJ
admet-729	133	26	3nxu	3nxu	PROPN
admet-729	133	27	comparing	compare	VERB
admet-729	133	28	the	the	DET
admet-729	133	29	entire	entire	ADJ
admet-729	133	30	protein	protein	NOUN
admet-729	133	31	and	and	CCONJ
admet-729	133	32	only	only	ADV
admet-729	133	33	the	the	DET
admet-729	133	34	region	region	NOUN
admet-729	133	35	corresponding	correspond	VERB
admet-729	133	36	to	to	ADP
admet-729	133	37	the	the	DET
admet-729	133	38	active	active	ADJ
admet-729	133	39	site	site	NOUN
admet-729	133	40	.	.	PUNCT
admet-729	134	1	the	the	DET
admet-729	134	2	calculation	calculation	NOUN
admet-729	134	3	of	of	ADP
admet-729	134	4	both	both	DET
admet-729	134	5	regions	region	NOUN
admet-729	134	6	was	be	AUX
admet-729	134	7	taking	take	VERB
admet-729	134	8	into	into	ADP
admet-729	134	9	account	account	NOUN
admet-729	134	10	the	the	DET
admet-729	134	11	atoms	atom	NOUN
admet-729	134	12	corresponding	correspond	VERB
admet-729	134	13	to	to	ADP
admet-729	134	14	the	the	DET
admet-729	134	15	main	main	ADJ
admet-729	134	16	chain	chain	NOUN
admet-729	134	17	and	and	CCONJ
admet-729	134	18	later	later	ADV
admet-729	134	19	to	to	ADP
admet-729	134	20	the	the	DET
admet-729	134	21	atoms	atom	NOUN
admet-729	134	22	that	that	PRON
admet-729	134	23	were	be	AUX
admet-729	134	24	not	not	PART
admet-729	134	25	hydrogens	hydrogen	NOUN
admet-729	134	26	.	.	PUNCT
admet-729	135	1	following	follow	VERB
admet-729	135	2	table	table	NOUN
admet-729	135	3	2	2	NUM
admet-729	135	4	,	,	PUNCT
admet-729	135	5	we	we	PRON
admet-729	135	6	expected	expect	VERB
admet-729	135	7	the	the	DET
admet-729	135	8	unliganded	unligande	VERB
admet-729	135	9	(	(	PUNCT
admet-729	135	10	liganded	liganded	ADJ
admet-729	135	11	)	)	PUNCT
admet-729	135	12	models	model	NOUN
admet-729	135	13	to	to	PART
admet-729	135	14	merge	merge	VERB
admet-729	135	15	into	into	ADP
admet-729	135	16	geometries	geometry	NOUN
admet-729	135	17	similar	similar	ADJ
admet-729	135	18	to	to	ADP
admet-729	135	19	1tqn	1tqn	NUM
admet-729	135	20	(	(	PUNCT
admet-729	135	21	3nxu	3nxu	NOUN
admet-729	135	22	)	)	PUNCT
admet-729	135	23	during	during	ADP
admet-729	135	24	md	md	PROPN
admet-729	135	25	simulations	simulation	NOUN
admet-729	135	26	.	.	PUNCT
admet-729	136	1	intriguingly	intriguingly	ADV
admet-729	136	2	,	,	PUNCT
admet-729	136	3	the	the	DET
admet-729	136	4	md	md	PROPN
admet-729	136	5	results	result	VERB
admet-729	136	6	in	in	ADP
admet-729	136	7	table	table	NOUN
admet-729	136	8	4	4	NUM
admet-729	136	9	fell	fall	VERB
admet-729	136	10	short	short	ADV
admet-729	136	11	of	of	ADP
admet-729	136	12	expectation	expectation	NOUN
admet-729	136	13	.	.	PUNCT
admet-729	137	1	the	the	DET
admet-729	137	2	absence	absence	NOUN
admet-729	137	3	of	of	ADP
admet-729	137	4	rit	rit	NOUN
admet-729	137	5	allows	allow	VERB
admet-729	137	6	cyp3a4	cyp3a4	NOUN
admet-729	137	7	to	to	PART
admet-729	137	8	explore	explore	VERB
admet-729	137	9	the	the	DET
admet-729	137	10	conformational	conformational	ADJ
admet-729	137	11	space	space	NOUN
admet-729	137	12	much	much	ADV
admet-729	137	13	more	more	ADJ
admet-729	137	14	than	than	ADP
admet-729	137	15	the	the	DET
admet-729	137	16	liganded	ligande	VERB
admet-729	137	17	enzyme	enzyme	NOUN
admet-729	137	18	which	which	PRON
admet-729	137	19	resembles	resemble	VERB
admet-729	137	20	more	more	ADJ
admet-729	137	21	the	the	DET
admet-729	137	22	crystal	crystal	NOUN
admet-729	137	23	structure	structure	NOUN
admet-729	137	24	3nxu	3nxu	PROPN
admet-729	137	25	(	(	PUNCT
admet-729	137	26	table	table	NOUN
admet-729	137	27	4	4	NUM
admet-729	137	28	)	)	PUNCT
admet-729	137	29	.	.	PUNCT
admet-729	138	1	table	table	NOUN
admet-729	138	2	4	4	NUM
admet-729	138	3	.	.	PUNCT
admet-729	138	4	computed	compute	VERB
admet-729	138	5	rmsd	rmsd	NOUN
admet-729	138	6	values	value	NOUN
admet-729	139	1	[	[	X
admet-729	139	2	å	å	X
admet-729	139	3	]	]	X
admet-729	139	4	for	for	ADP
admet-729	139	5	1tqn	1tqn	NUM
admet-729	139	6	and	and	CCONJ
admet-729	139	7	3nxu	3nxu	NOUN
admet-729	139	8	.	.	PUNCT
admet-729	140	1	the	the	DET
admet-729	140	2	averaged	average	VERB
admet-729	140	3	values	value	NOUN
admet-729	140	4	represent	represent	VERB
admet-729	140	5	a	a	DET
admet-729	140	6	movement	movement	NOUN
admet-729	140	7	corresponding	correspond	VERB
admet-729	140	8	to	to	ADP
admet-729	140	9	an	an	DET
admet-729	140	10	area	area	NOUN
admet-729	140	11	around	around	ADP
admet-729	140	12	the	the	DET
admet-729	140	13	active	active	ADJ
admet-729	140	14	site	site	NOUN
admet-729	140	15	compared	compare	VERB
admet-729	140	16	against	against	ADP
admet-729	140	17	all	all	DET
admet-729	140	18	positions	position	NOUN
admet-729	140	19	during	during	ADP
admet-729	140	20	the	the	DET
admet-729	140	21	entire	entire	ADJ
admet-729	140	22	simulation	simulation	NOUN
admet-729	140	23	.	.	PUNCT
admet-729	141	1	the	the	DET
admet-729	141	2	main	main	ADJ
admet-729	141	3	chain	chain	NOUN
admet-729	141	4	and	and	CCONJ
admet-729	141	5	all	all	DET
admet-729	141	6	non	non	ADJ
admet-729	141	7	-	-	ADJ
admet-729	141	8	h	h	ADJ
admet-729	141	9	atoms	atom	NOUN
admet-729	141	10	in	in	ADP
admet-729	141	11	the	the	DET
admet-729	141	12	area	area	NOUN
admet-729	141	13	were	be	AUX
admet-729	141	14	compared	compare	VERB
admet-729	141	15	.	.	PUNCT
admet-729	142	1	compared	compare	VERB
admet-729	142	2	region	region	NOUN
admet-729	142	3	:	:	PUNCT
admet-729	142	4	whole	whole	ADJ
admet-729	142	5	protein	protein	NOUN
admet-729	142	6	active	active	ADJ
admet-729	142	7	site	site	NOUN
admet-729	142	8	reference	reference	PROPN
admet-729	142	9	pdb	pdb	PROPN
admet-729	142	10	crystal	crystal	NOUN
admet-729	142	11	1tqn	1tqn	NUM
admet-729	142	12	3nxu	3nxu	NOUN
admet-729	142	13	1tqn	1tqn	NUM
admet-729	142	14	3nxu	3nxu	PROPN
admet-729	142	15	rmsd	rmsd	NOUN
admet-729	142	16	of	of	ADP
admet-729	142	17	system	system	NOUN
admet-729	142	18	(	(	PUNCT
admet-729	142	19	iii	iii	NOUN
admet-729	142	20	)	)	PUNCT
admet-729	142	21	1tqn+rit	1tqn+rit	NUM
admet-729	142	22	1.5	1.5	NUM
admet-729	142	23	2.1	2.1	NUM
admet-729	142	24	1.5	1.5	NUM
admet-729	142	25	3.8	3.8	NUM
admet-729	142	26	rmsd	rmsd	NOUN
admet-729	142	27	of	of	ADP
admet-729	142	28	system	system	NOUN
admet-729	142	29	(	(	PUNCT
admet-729	142	30	ii	ii	NOUN
admet-729	142	31	)	)	PUNCT
admet-729	142	32	1tqn	1tqn	NUM
admet-729	142	33	-	-	PUNCT
admet-729	142	34	rit	rit	NOUN
admet-729	142	35	(	(	PUNCT
admet-729	142	36	orig	orig	PROPN
admet-729	142	37	.	.	PUNCT
admet-729	142	38	)	)	PUNCT
admet-729	143	1	2.2	2.2	NUM
admet-729	143	2	2.8	2.8	NUM
admet-729	143	3	3.9	3.9	NUM
admet-729	143	4	5.1	5.1	NUM
admet-729	143	5	rmsd	rmsd	NOUN
admet-729	143	6	of	of	ADP
admet-729	143	7	system	system	NOUN
admet-729	143	8	(	(	PUNCT
admet-729	143	9	i	i	NOUN
admet-729	143	10	)	)	PUNCT
admet-729	143	11	3nxu+rit	3nxu+rit	PROPN
admet-729	143	12	(	(	PUNCT
admet-729	143	13	orig	orig	PROPN
admet-729	143	14	.	.	PUNCT
admet-729	143	15	)	)	PUNCT
admet-729	144	1	2.2	2.2	NUM
admet-729	144	2	1.2	1.2	NUM
admet-729	144	3	4.0	4.0	NUM
admet-729	144	4	1.1	1.1	NUM
admet-729	144	5	rmsd	rmsd	NOUN
admet-729	144	6	of	of	ADP
admet-729	144	7	system	system	NOUN
admet-729	144	8	(	(	PUNCT
admet-729	144	9	iv	iv	X
admet-729	144	10	)	)	PUNCT
admet-729	144	11	3nxu	3nxu	PROPN
admet-729	144	12	-	-	PUNCT
admet-729	144	13	rit	rit	NOUN
admet-729	144	14	2.2	2.2	NUM
admet-729	144	15	1.7	1.7	NUM
admet-729	144	16	3.8	3.8	NUM
admet-729	144	17	2.4	2.4	NUM
admet-729	144	18	playback	playback	NOUN
admet-729	144	19	analysis	analysis	NOUN
admet-729	144	20	by	by	ADP
admet-729	144	21	vmd	vmd	PROPN
admet-729	144	22	showed	show	VERB
admet-729	144	23	that	that	SCONJ
admet-729	144	24	the	the	DET
admet-729	144	25	liganded	ligande	VERB
admet-729	144	26	models	model	NOUN
admet-729	144	27	follow	follow	VERB
admet-729	144	28	trajectories	trajectory	NOUN
admet-729	144	29	in	in	ADP
admet-729	144	30	a	a	DET
admet-729	144	31	much	much	ADV
admet-729	144	32	shorter	short	ADJ
admet-729	144	33	range	range	NOUN
admet-729	144	34	of	of	ADP
admet-729	144	35	near	near	ADJ
admet-729	144	36	-	-	PUNCT
admet-729	144	37	site	site	NOUN
admet-729	144	38	atomic	atomic	ADJ
admet-729	144	39	displacements	displacement	NOUN
admet-729	144	40	,	,	PUNCT
admet-729	144	41	i.e.	i.e.	X
admet-729	144	42	their	their	PRON
admet-729	144	43	average	average	ADJ
admet-729	144	44	geometries	geometry	NOUN
admet-729	144	45	lie	lie	VERB
admet-729	144	46	closer	close	ADV
admet-729	144	47	to	to	ADP
admet-729	144	48	the	the	DET
admet-729	144	49	starting	starting	NOUN
admet-729	144	50	geometries	geometry	NOUN
admet-729	144	51	.	.	PUNCT
admet-729	145	1	in	in	ADP
admet-729	145	2	more	more	ADJ
admet-729	145	3	general	general	ADJ
admet-729	145	4	terms	term	NOUN
admet-729	145	5	,	,	PUNCT
admet-729	145	6	ligand	ligand	ADJ
admet-729	145	7	receptor	receptor	NOUN
admet-729	145	8	complexes	complex	NOUN
admet-729	145	9	are	be	AUX
admet-729	145	10	less	less	ADV
admet-729	145	11	flexible	flexible	ADJ
admet-729	145	12	by	by	ADP
admet-729	145	13	nature	nature	NOUN
admet-729	145	14	,	,	PUNCT
admet-729	145	15	due	due	ADP
admet-729	145	16	to	to	ADP
admet-729	145	17	ligand	ligand	NOUN
admet-729	145	18	-	-	PUNCT
admet-729	145	19	mediated	mediate	VERB
admet-729	145	20	noncovalent	noncovalent	NOUN
admet-729	145	21	bonds	bond	NOUN
admet-729	145	22	at	at	ADP
admet-729	145	23	the	the	DET
admet-729	145	24	active	active	ADJ
admet-729	145	25	site	site	NOUN
admet-729	145	26	(	(	PUNCT
admet-729	145	27	figure	figure	NOUN
admet-729	145	28	3	3	NUM
admet-729	145	29	)	)	PUNCT
admet-729	145	30	.	.	PUNCT
admet-729	146	1	admet	admet	PROPN
admet-729	146	2	&	&	CCONJ
admet-729	146	3	dmpk	dmpk	PROPN
admet-729	146	4	7(4	7(4	NUM
admet-729	146	5	)	)	PUNCT
admet-729	146	6	(	(	PUNCT
admet-729	146	7	2019	2019	NUM
admet-729	146	8	)	)	PUNCT
admet-729	146	9	252	252	NUM
admet-729	146	10	-	-	SYM
admet-729	146	11	266	266	NUM
admet-729	146	12	induced	induce	VERB
admet-729	146	13	fit	fit	NOUN
admet-729	146	14	of	of	ADP
admet-729	146	15	cyp3a4	cyp3a4	PROPN
admet-729	146	16	doi	doi	PROPN
admet-729	146	17	:	:	PUNCT
admet-729	146	18	10.5599	10.5599	NUM
admet-729	146	19	/	/	SYM
admet-729	146	20	admet.729	admet.729	PROPN
admet-729	146	21	259	259	NUM
admet-729	146	22	figure	figure	NOUN
admet-729	146	23	3	3	NUM
admet-729	146	24	.	.	PUNCT
admet-729	146	25	intermolecular	intermolecular	ADJ
admet-729	146	26	interactions	interaction	NOUN
admet-729	146	27	between	between	ADP
admet-729	146	28	ritonavir	ritonavir	NOUN
admet-729	146	29	substrate	substrate	NOUN
admet-729	146	30	and	and	CCONJ
admet-729	146	31	cyp3a4	cyp3a4	NOUN
admet-729	146	32	enzyme	enzyme	NOUN
admet-729	146	33	(	(	PUNCT
admet-729	146	34	3nxu	3nxu	NOUN
admet-729	146	35	)	)	PUNCT
admet-729	146	36	.	.	PUNCT
admet-729	147	1	the	the	DET
admet-729	147	2	ligand	ligand	NOUN
admet-729	147	3	’s	’s	PART
admet-729	147	4	favourable	favourable	ADJ
admet-729	147	5	intermolecular	intermolecular	ADJ
admet-729	147	6	interactions	interaction	NOUN
admet-729	147	7	at	at	ADP
admet-729	147	8	the	the	DET
admet-729	147	9	active	active	ADJ
admet-729	147	10	site	site	NOUN
admet-729	147	11	stabilized	stabilize	VERB
admet-729	147	12	the	the	DET
admet-729	147	13	complexes	complex	NOUN
admet-729	147	14	(	(	PUNCT
admet-729	147	15	1tqn+rit	1tqn+rit	NUM
admet-729	147	16	and	and	CCONJ
admet-729	147	17	3nxu+rit	3nxu+rit	NUM
admet-729	147	18	)	)	PUNCT
admet-729	147	19	.	.	PUNCT
admet-729	148	1	the	the	DET
admet-729	148	2	noncovalent	noncovalent	NOUN
admet-729	148	3	bonds	bond	NOUN
admet-729	148	4	(	(	PUNCT
admet-729	148	5	intermittent	intermittent	ADJ
admet-729	148	6	lines	line	NOUN
admet-729	148	7	)	)	PUNCT
admet-729	148	8	between	between	ADP
admet-729	148	9	ligand	ligand	NOUN
admet-729	148	10	and	and	CCONJ
admet-729	148	11	heme	heme	NOUN
admet-729	148	12	or	or	CCONJ
admet-729	148	13	amino	amino	ADJ
admet-729	148	14	acids	acid	NOUN
admet-729	148	15	decrease	decrease	NOUN
admet-729	148	16	significantly	significantly	ADV
admet-729	148	17	the	the	DET
admet-729	148	18	protein	protein	NOUN
admet-729	148	19	flexibility	flexibility	NOUN
admet-729	148	20	.	.	PUNCT
admet-729	149	1	the	the	DET
admet-729	149	2	presence	presence	NOUN
admet-729	149	3	of	of	ADP
admet-729	149	4	rit	rit	NOUN
admet-729	149	5	at	at	ADP
admet-729	149	6	the	the	DET
admet-729	149	7	active	active	ADJ
admet-729	149	8	site	site	NOUN
admet-729	149	9	had	have	AUX
admet-729	149	10	already	already	ADV
admet-729	149	11	induced	induce	VERB
admet-729	149	12	a	a	DET
admet-729	149	13	larger	large	ADJ
admet-729	149	14	geometrical	geometrical	ADJ
admet-729	149	15	shift	shift	NOUN
admet-729	149	16	(	(	PUNCT
admet-729	149	17	figure	figure	NOUN
admet-729	149	18	4	4	NUM
admet-729	149	19	and	and	CCONJ
admet-729	149	20	table	table	NOUN
admet-729	149	21	5	5	NUM
admet-729	149	22	)	)	PUNCT
admet-729	149	23	.	.	PUNCT
admet-729	150	1	this	this	DET
admet-729	150	2	conclusion	conclusion	NOUN
admet-729	150	3	is	be	AUX
admet-729	150	4	in	in	ADP
admet-729	150	5	total	total	ADJ
admet-729	150	6	keeping	keeping	NOUN
admet-729	150	7	with	with	ADP
admet-729	150	8	the	the	DET
admet-729	150	9	experimentally	experimentally	ADV
admet-729	150	10	observed	observe	VERB
admet-729	150	11	huge	huge	ADJ
admet-729	150	12	rmsd	rmsd	NOUN
admet-729	150	13	differences	difference	NOUN
admet-729	150	14	between	between	ADP
admet-729	150	15	ligand	ligand	NOUN
admet-729	150	16	-	-	PUNCT
admet-729	150	17	bound	bind	VERB
admet-729	150	18	and	and	CCONJ
admet-729	150	19	unbounded	unbounded	ADJ
admet-729	150	20	crystal	crystal	NOUN
admet-729	150	21	structures	structure	NOUN
admet-729	150	22	:	:	PUNCT
admet-729	150	23	rmsd	rmsd	VERB
admet-729	150	24	3.8	3.8	NUM
admet-729	150	25	at	at	ADP
admet-729	150	26	the	the	DET
admet-729	150	27	active	active	ADJ
admet-729	150	28	site	site	NOUN
admet-729	150	29	or	or	CCONJ
admet-729	150	30	rmsd	rmsd	VERB
admet-729	150	31	1.6	1.6	NUM
admet-729	150	32	for	for	ADP
admet-729	150	33	the	the	DET
admet-729	150	34	entire	entire	ADJ
admet-729	150	35	complex	complex	NOUN
admet-729	150	36	.	.	PUNCT
admet-729	151	1	the	the	DET
admet-729	151	2	two	two	NUM
admet-729	151	3	moving	move	VERB
admet-729	151	4	f	f	NOUN
admet-729	151	5	-	-	PUNCT
admet-729	151	6	g	g	NOUN
admet-729	151	7	loops	loop	NOUN
admet-729	151	8	from	from	ADP
admet-729	151	9	3nxu	3nxu	PROPN
admet-729	151	10	with	with	ADP
admet-729	151	11	or	or	CCONJ
admet-729	151	12	without	without	ADP
admet-729	151	13	ligand	ligand	NOUN
admet-729	151	14	were	be	AUX
admet-729	151	15	superimposed	superimpose	VERB
admet-729	151	16	to	to	PART
admet-729	151	17	display	display	VERB
admet-729	151	18	the	the	DET
admet-729	151	19	difference	difference	NOUN
admet-729	151	20	in	in	ADP
admet-729	151	21	mobility	mobility	NOUN
admet-729	151	22	throughout	throughout	ADP
admet-729	151	23	the	the	DET
admet-729	151	24	entire	entire	ADJ
admet-729	151	25	dynamic	dynamic	ADJ
admet-729	151	26	simulation	simulation	NOUN
admet-729	151	27	(	(	PUNCT
admet-729	151	28	figure	figure	NOUN
admet-729	151	29	4	4	NUM
admet-729	151	30	)	)	PUNCT
admet-729	151	31	.	.	PUNCT
admet-729	152	1	again	again	ADV
admet-729	152	2	,	,	PUNCT
admet-729	152	3	with	with	SCONJ
admet-729	152	4	rit	rit	NOUN
admet-729	152	5	in	in	ADP
admet-729	152	6	the	the	DET
admet-729	152	7	binding	bind	VERB
admet-729	152	8	cleft	cleft	NOUN
admet-729	152	9	smaller	small	ADJ
admet-729	152	10	displacements	displacement	NOUN
admet-729	152	11	were	be	AUX
admet-729	152	12	noticed	notice	VERB
admet-729	152	13	(	(	PUNCT
admet-729	152	14	figure	figure	NOUN
admet-729	152	15	3	3	NUM
admet-729	152	16	)	)	PUNCT
admet-729	152	17	.	.	PUNCT
admet-729	153	1	the	the	DET
admet-729	153	2	presence	presence	NOUN
admet-729	153	3	of	of	ADP
admet-729	153	4	rit	rit	PROPN
admet-729	153	5	exercises	exercise	VERB
admet-729	153	6	a	a	DET
admet-729	153	7	twofold	twofold	ADJ
admet-729	153	8	effect	effect	NOUN
admet-729	153	9	:	:	PUNCT
admet-729	153	10	(	(	PUNCT
admet-729	153	11	i	i	NOUN
admet-729	153	12	)	)	PUNCT
admet-729	153	13	preventing	prevent	VERB
admet-729	153	14	the	the	DET
admet-729	153	15	f	f	PROPN
admet-729	153	16	-	-	PUNCT
admet-729	153	17	g	g	PROPN
admet-729	153	18	loop	loop	NOUN
admet-729	153	19	from	from	ADP
admet-729	153	20	occupying	occupy	VERB
admet-729	153	21	positions	position	NOUN
admet-729	153	22	close	close	ADJ
admet-729	153	23	to	to	ADP
admet-729	153	24	the	the	DET
admet-729	153	25	heme	heme	NOUN
admet-729	153	26	group	group	NOUN
admet-729	153	27	,	,	PUNCT
admet-729	153	28	and	and	CCONJ
admet-729	153	29	(	(	PUNCT
admet-729	153	30	ii	ii	NOUN
admet-729	153	31	)	)	PUNCT
admet-729	153	32	intermolecular	intermolecular	ADJ
admet-729	153	33	interactions	interaction	NOUN
admet-729	153	34	stiffening	stiffen	VERB
admet-729	153	35	the	the	DET
admet-729	153	36	loop	loop	NOUN
admet-729	153	37	architecture	architecture	NOUN
admet-729	153	38	.	.	PUNCT
admet-729	154	1	table	table	NOUN
admet-729	154	2	5	5	NUM
admet-729	154	3	.	.	PUNCT
admet-729	154	4	calculated	calculate	VERB
admet-729	154	5	rmsd	rmsd	NOUN
admet-729	154	6	values	value	NOUN
admet-729	155	1	[	[	X
admet-729	155	2	å	å	X
admet-729	155	3	]	]	X
admet-729	155	4	for	for	ADP
admet-729	155	5	unliganded	unliganded	ADJ
admet-729	155	6	1tqn	1tqn	NUM
admet-729	155	7	,	,	PUNCT
admet-729	155	8	1tqn+rit	1tqn+rit	NUM
admet-729	155	9	,	,	PUNCT
admet-729	155	10	3nxu	3nxu	PROPN
admet-729	155	11	-	-	PUNCT
admet-729	155	12	rit	rit	NOUN
admet-729	155	13	and	and	CCONJ
admet-729	155	14	liganded	ligande	VERB
admet-729	155	15	3nxu	3nxu	PROPN
admet-729	155	16	.	.	PUNCT
admet-729	156	1	the	the	DET
admet-729	156	2	averaged	average	VERB
admet-729	156	3	values	value	NOUN
admet-729	156	4	represent	represent	VERB
admet-729	156	5	a	a	DET
admet-729	156	6	movement	movement	NOUN
admet-729	156	7	corresponding	correspond	VERB
admet-729	156	8	to	to	ADP
admet-729	156	9	an	an	DET
admet-729	156	10	area	area	NOUN
admet-729	156	11	around	around	ADP
admet-729	156	12	the	the	DET
admet-729	156	13	active	active	ADJ
admet-729	156	14	site	site	NOUN
admet-729	156	15	compared	compare	VERB
admet-729	156	16	against	against	ADP
admet-729	156	17	all	all	DET
admet-729	156	18	positions	position	NOUN
admet-729	156	19	during	during	ADP
admet-729	156	20	the	the	DET
admet-729	156	21	entire	entire	ADJ
admet-729	156	22	simulation	simulation	NOUN
admet-729	156	23	.	.	PUNCT
admet-729	157	1	the	the	DET
admet-729	157	2	columns	column	NOUN
admet-729	157	3	sd	sd	NOUN
admet-729	157	4	,	,	PUNCT
admet-729	157	5	min	min	PROPN
admet-729	157	6	and	and	CCONJ
admet-729	157	7	max	max	PROPN
admet-729	157	8	show	show	VERB
admet-729	157	9	the	the	DET
admet-729	157	10	values	value	NOUN
admet-729	157	11	of	of	ADP
admet-729	157	12	standard	standard	ADJ
admet-729	157	13	deviation	deviation	NOUN
admet-729	157	14	sd	sd	NOUN
admet-729	157	15	,	,	PUNCT
admet-729	157	16	rmsd	rmsd	VERB
admet-729	157	17	minima	minima	NOUN
admet-729	157	18	and	and	CCONJ
admet-729	157	19	maxima	maxima	PROPN
admet-729	157	20	.	.	PUNCT
admet-729	158	1	hcyp3a4	hcyp3a4	PROPN
admet-729	158	2	model	model	NOUN
admet-729	158	3	rmsd	rmsd	VERB
admet-729	159	1	[	[	X
admet-729	159	2	å	å	X
admet-729	159	3	]	]	X
admet-729	159	4	sd	sd	NOUN
admet-729	159	5	min	min	NOUN
admet-729	160	1	[	[	X
admet-729	160	2	å	å	X
admet-729	160	3	]	]	X
admet-729	160	4	max	max	PROPN
admet-729	161	1	[	[	X
admet-729	161	2	å	å	X
admet-729	161	3	]	]	X
admet-729	161	4	1tqn+rit	1tqn+rit	NUM
admet-729	161	5	1.2	1.2	NUM
admet-729	161	6	0.36	0.36	NUM
admet-729	161	7	0.32	0.32	NUM
admet-729	161	8	3.59	3.59	NUM
admet-729	161	9	1tqn	1tqn	NUM
admet-729	161	10	-	-	PUNCT
admet-729	161	11	rit	rit	NOUN
admet-729	161	12	(	(	PUNCT
admet-729	161	13	orig	orig	PROPN
admet-729	161	14	.	.	PUNCT
admet-729	161	15	)	)	PUNCT
admet-729	162	1	2.0	2.0	NUM
admet-729	162	2	0.66	0.66	NUM
admet-729	162	3	0.36	0.36	NUM
admet-729	162	4	5.07	5.07	NUM
admet-729	162	5	3nxu+rit	3nxu+rit	NUM
admet-729	162	6	(	(	PUNCT
admet-729	162	7	orig	orig	PROPN
admet-729	162	8	.	.	PUNCT
admet-729	162	9	)	)	PUNCT
admet-729	163	1	1.2	1.2	NUM
admet-729	163	2	0.38	0.38	NUM
admet-729	163	3	0.20	0.20	NUM
admet-729	163	4	2.74	2.74	NUM
admet-729	163	5	3nxu	3nxu	NUM
admet-729	163	6	-	-	PUNCT
admet-729	163	7	rit	rit	NOUN
admet-729	163	8	2.2	2.2	NUM
admet-729	163	9	0.84	0.84	NUM
admet-729	163	10	0.29	0.29	NUM
admet-729	163	11	5.35	5.35	NUM
admet-729	163	12	in	in	ADP
admet-729	163	13	table	table	NOUN
admet-729	163	14	5	5	NUM
admet-729	163	15	the	the	DET
admet-729	163	16	differential	differential	ADJ
admet-729	163	17	behavior	behavior	NOUN
admet-729	163	18	of	of	ADP
admet-729	163	19	rit	rit	NOUN
admet-729	163	20	-	-	PUNCT
admet-729	163	21	bound	bind	VERB
admet-729	163	22	versus	versus	ADP
admet-729	163	23	unbound	unbound	NOUN
admet-729	163	24	systems	system	NOUN
admet-729	163	25	becomes	become	VERB
admet-729	163	26	evident	evident	ADJ
admet-729	163	27	with	with	ADP
admet-729	163	28	less	less	ADV
admet-729	163	29	flexible	flexible	ADJ
admet-729	163	30	main	main	ADJ
admet-729	163	31	chains	chain	NOUN
admet-729	163	32	for	for	ADP
admet-729	163	33	the	the	DET
admet-729	163	34	former	former	ADJ
admet-729	163	35	and	and	CCONJ
admet-729	163	36	high	high	ADJ
admet-729	163	37	flexibilities	flexibility	NOUN
admet-729	163	38	for	for	ADP
admet-729	163	39	the	the	DET
admet-729	163	40	latter	latter	ADJ
admet-729	163	41	.	.	PUNCT
admet-729	164	1	it	it	PRON
admet-729	164	2	is	be	AUX
admet-729	164	3	,	,	PUNCT
admet-729	164	4	however	however	ADV
admet-729	164	5	,	,	PUNCT
admet-729	164	6	possible	possible	ADJ
admet-729	164	7	to	to	PART
admet-729	164	8	measure	measure	VERB
admet-729	164	9	the	the	DET
admet-729	164	10	overall	overall	ADJ
admet-729	164	11	geometric	geometric	ADJ
admet-729	164	12	similarities	similarity	NOUN
admet-729	164	13	without	without	ADP
admet-729	164	14	the	the	DET
admet-729	164	15	dynamic	dynamic	ADJ
admet-729	164	16	contributions	contribution	NOUN
admet-729	164	17	after	after	ADP
admet-729	164	18	assessing	assess	VERB
admet-729	164	19	corresponding	corresponding	ADJ
admet-729	164	20	differences	difference	NOUN
admet-729	164	21	between	between	ADP
admet-729	164	22	the	the	DET
admet-729	164	23	four	four	NUM
admet-729	164	24	molecular	molecular	ADJ
admet-729	164	25	systems	system	NOUN
admet-729	164	26	in	in	ADP
admet-729	164	27	table	table	NOUN
admet-729	164	28	1	1	NUM
admet-729	164	29	.	.	PUNCT
admet-729	164	30	to	to	PART
admet-729	164	31	get	get	AUX
admet-729	164	32	rid	rid	VERB
admet-729	164	33	of	of	ADP
admet-729	164	34	rmsd	rmsd	ADJ
admet-729	164	35	bias	bias	NOUN
admet-729	164	36	due	due	ADP
admet-729	164	37	to	to	ADP
admet-729	164	38	movement	movement	NOUN
admet-729	164	39	restrains	restrain	VERB
admet-729	164	40	of	of	ADP
admet-729	164	41	more	more	ADV
admet-729	164	42	stable	stable	ADJ
admet-729	164	43	liganded	liganded	ADJ
admet-729	164	44	complexes	complex	NOUN
admet-729	164	45	,	,	PUNCT
admet-729	164	46	the	the	DET
admet-729	164	47	rmsd	rmsd	NOUN
admet-729	164	48	of	of	ADP
admet-729	164	49	any	any	DET
admet-729	164	50	two	two	NUM
admet-729	164	51	models	model	NOUN
admet-729	164	52	(	(	PUNCT
admet-729	164	53	now	now	ADV
admet-729	164	54	called	call	VERB
admet-729	164	55	system1	system1	NOUN
admet-729	164	56	or	or	CCONJ
admet-729	164	57	system2	system2	NOUN
admet-729	164	58	,	,	PUNCT
admet-729	164	59	respectively	respectively	ADV
admet-729	164	60	)	)	PUNCT
admet-729	164	61	was	be	AUX
admet-729	164	62	calculated	calculate	VERB
admet-729	164	63	taking	take	VERB
admet-729	164	64	as	as	ADP
admet-729	164	65	reference	reference	NOUN
admet-729	164	66	the	the	DET
admet-729	164	67	average	average	ADJ
admet-729	164	68	value	value	NOUN
admet-729	164	69	of	of	ADP
admet-729	164	70	corresponding	correspond	VERB
admet-729	164	71	atom	atom	NOUN
admet-729	164	72	positions	position	NOUN
admet-729	164	73	from	from	ADP
admet-729	164	74	both	both	DET
admet-729	164	75	systems	system	NOUN
admet-729	164	76	.	.	PUNCT
admet-729	165	1	the	the	DET
admet-729	165	2	calculated	calculate	VERB
admet-729	165	3	rmsd	rmsd	NOUN
admet-729	165	4	of	of	ADP
admet-729	165	5	system1	system1	NOUN
admet-729	165	6	with	with	ADP
admet-729	165	7	respect	respect	NOUN
admet-729	165	8	to	to	ADP
admet-729	165	9	the	the	DET
admet-729	165	10	average	average	ADJ
admet-729	165	11	positions	position	NOUN
admet-729	165	12	of	of	ADP
admet-729	165	13	both	both	DET
admet-729	165	14	systems	system	NOUN
admet-729	165	15	taken	take	VERB
admet-729	165	16	together	together	ADV
admet-729	165	17	is	be	AUX
admet-729	165	18	called	call	VERB
admet-729	165	19	a1	a1	NOUN
admet-729	165	20	,	,	PUNCT
admet-729	165	21	and	and	CCONJ
admet-729	165	22	the	the	DET
admet-729	165	23	calculated	calculate	VERB
admet-729	165	24	rmsd	rmsd	NOUN
admet-729	165	25	of	of	ADP
admet-729	165	26	system2	system2	NOUN
admet-729	165	27	respect	respect	NOUN
admet-729	165	28	to	to	ADP
admet-729	165	29	the	the	DET
admet-729	165	30	average	average	ADJ
admet-729	165	31	quiroga	quiroga	NOUN
admet-729	165	32	and	and	CCONJ
admet-729	165	33	scior	scior	PROPN
admet-729	165	34	admet	admet	PROPN
admet-729	165	35	&	&	CCONJ
admet-729	165	36	dmpk	dmpk	PROPN
admet-729	165	37	7(4	7(4	NUM
admet-729	165	38	)	)	PUNCT
admet-729	165	39	(	(	PUNCT
admet-729	165	40	2019	2019	NUM
admet-729	165	41	)	)	PUNCT
admet-729	165	42	252	252	NUM
admet-729	165	43	-	-	SYM
admet-729	165	44	266	266	NUM
admet-729	165	45	260	260	NUM
admet-729	165	46	positions	position	NOUN
admet-729	165	47	of	of	ADP
admet-729	165	48	both	both	DET
admet-729	165	49	systems	system	NOUN
admet-729	165	50	is	be	AUX
admet-729	165	51	called	call	VERB
admet-729	165	52	a2	a2	PROPN
admet-729	165	53	.	.	PUNCT
admet-729	166	1	rmsd	rmsd	PROPN
admet-729	166	2	is	be	AUX
admet-729	166	3	amenable	amenable	ADJ
admet-729	166	4	to	to	ADP
admet-729	166	5	recalculation	recalculation	NOUN
admet-729	166	6	thanks	thank	NOUN
admet-729	166	7	to	to	ADP
admet-729	166	8	the	the	DET
admet-729	166	9	fact	fact	NOUN
admet-729	166	10	that	that	SCONJ
admet-729	166	11	all	all	DET
admet-729	166	12	systems	system	NOUN
admet-729	166	13	have	have	AUX
admet-729	166	14	the	the	DET
admet-729	166	15	same	same	ADJ
admet-729	166	16	total	total	ADJ
admet-729	166	17	number	number	NOUN
admet-729	166	18	of	of	ADP
admet-729	166	19	atoms	atom	NOUN
admet-729	166	20	in	in	ADP
admet-729	166	21	their	their	PRON
admet-729	166	22	data	data	NOUN
admet-729	166	23	files	file	NOUN
admet-729	166	24	.	.	PUNCT
admet-729	167	1	therefore	therefore	ADV
admet-729	167	2	,	,	PUNCT
admet-729	167	3	even	even	ADV
admet-729	167	4	ever	ever	ADV
admet-729	167	5	higher	high	ADJ
admet-729	167	6	a	a	DET
admet-729	167	7	values	value	NOUN
admet-729	167	8	(	(	PUNCT
admet-729	167	9	figure	figure	NOUN
admet-729	167	10	5	5	NUM
admet-729	167	11	)	)	PUNCT
admet-729	167	12	were	be	AUX
admet-729	167	13	met	meet	VERB
admet-729	167	14	in	in	ADP
admet-729	167	15	a	a	DET
admet-729	167	16	system	system	NOUN
admet-729	167	17	,	,	PUNCT
admet-729	167	18	the	the	PRON
admet-729	167	19	greater	great	ADJ
admet-729	167	20	the	the	DET
admet-729	167	21	dynamic	dynamic	ADJ
admet-729	167	22	and	and	CCONJ
admet-729	167	23	structural	structural	ADJ
admet-729	167	24	differences	difference	NOUN
admet-729	167	25	would	would	AUX
admet-729	167	26	be	be	AUX
admet-729	167	27	.	.	PUNCT
admet-729	168	1	the	the	DET
admet-729	168	2	equation	equation	NOUN
admet-729	168	3	(	(	PUNCT
admet-729	168	4	a1m1)+(a2	a1m1)+(a2	PROPN
admet-729	168	5	-	-	PUNCT
admet-729	168	6	m2	m2	NOUN
admet-729	168	7	)	)	PUNCT
admet-729	168	8	,	,	PUNCT
admet-729	168	9	where	where	SCONJ
admet-729	168	10	m	m	NOUN
admet-729	168	11	represents	represent	VERB
admet-729	168	12	the	the	DET
admet-729	168	13	rmsd	rmsd	NOUN
admet-729	168	14	for	for	ADP
admet-729	168	15	the	the	DET
admet-729	168	16	unbiased	unbiased	ADJ
admet-729	168	17	movement	movement	NOUN
admet-729	168	18	of	of	ADP
admet-729	168	19	a	a	DET
admet-729	168	20	system	system	NOUN
admet-729	168	21	(	(	PUNCT
admet-729	168	22	table	table	NOUN
admet-729	168	23	5	5	NUM
admet-729	168	24	)	)	PUNCT
admet-729	168	25	,	,	PUNCT
admet-729	168	26	allows	allow	VERB
admet-729	168	27	recalculating	recalculate	VERB
admet-729	168	28	the	the	DET
admet-729	168	29	structural	structural	ADJ
admet-729	168	30	similarities	similarity	NOUN
admet-729	168	31	between	between	ADP
admet-729	168	32	two	two	NUM
admet-729	168	33	systems	system	NOUN
admet-729	168	34	in	in	ADP
admet-729	168	35	a	a	DET
admet-729	168	36	way	way	NOUN
admet-729	168	37	which	which	PRON
admet-729	168	38	is	be	AUX
admet-729	168	39	independent	independent	ADJ
admet-729	168	40	of	of	ADP
admet-729	168	41	their	their	PRON
admet-729	168	42	intrinsic	intrinsic	ADJ
admet-729	168	43	(	(	PUNCT
admet-729	168	44	own	own	ADJ
admet-729	168	45	)	)	PUNCT
admet-729	168	46	movements	movement	NOUN
admet-729	168	47	(	(	PUNCT
admet-729	168	48	figure	figure	NOUN
admet-729	168	49	5	5	NUM
admet-729	168	50	)	)	PUNCT
admet-729	168	51	.	.	PUNCT
admet-729	169	1	this	this	DET
admet-729	169	2	way	way	NOUN
admet-729	169	3	,	,	PUNCT
admet-729	169	4	it	it	PRON
admet-729	169	5	was	be	AUX
admet-729	169	6	possible	possible	ADJ
admet-729	169	7	to	to	PART
admet-729	169	8	evaluate	evaluate	VERB
admet-729	169	9	similarities	similarity	NOUN
admet-729	169	10	for	for	ADP
admet-729	169	11	all	all	DET
admet-729	169	12	model	model	NOUN
admet-729	169	13	pairs	pair	NOUN
admet-729	169	14	:	:	PUNCT
admet-729	169	15	(	(	PUNCT
admet-729	169	16	i	i	NOUN
admet-729	169	17	)	)	PUNCT
admet-729	169	18	the	the	PRON
admet-729	169	19	higher	high	ADJ
admet-729	169	20	the	the	DET
admet-729	169	21	values	value	NOUN
admet-729	169	22	,	,	PUNCT
admet-729	169	23	the	the	DET
admet-729	169	24	less	less	ADV
admet-729	169	25	structural	structural	ADJ
admet-729	169	26	similarities	similarity	NOUN
admet-729	169	27	during	during	ADP
admet-729	169	28	simulations	simulation	NOUN
admet-729	169	29	;	;	PUNCT
admet-729	169	30	(	(	PUNCT
admet-729	169	31	ii	ii	NOUN
admet-729	169	32	)	)	PUNCT
admet-729	169	33	conversely	conversely	ADV
admet-729	169	34	,	,	PUNCT
admet-729	169	35	the	the	PRON
admet-729	169	36	lower	low	ADJ
admet-729	169	37	the	the	DET
admet-729	169	38	values	value	NOUN
admet-729	169	39	,	,	PUNCT
admet-729	169	40	the	the	PRON
admet-729	169	41	higher	high	ADJ
admet-729	169	42	the	the	DET
admet-729	169	43	outcome	outcome	NOUN
admet-729	169	44	of	of	ADP
admet-729	169	45	similar	similar	ADJ
admet-729	169	46	conformations	conformation	NOUN
admet-729	169	47	during	during	ADP
admet-729	169	48	md	md	PROPN
admet-729	169	49	.	.	PROPN
admet-729	169	50	figure	figure	PROPN
admet-729	169	51	4	4	NUM
admet-729	169	52	.	.	PUNCT
admet-729	170	1	superposition	superposition	NOUN
admet-729	170	2	of	of	ADP
admet-729	170	3	md	md	PROPN
admet-729	170	4	conformations	conformation	NOUN
admet-729	170	5	with	with	ADP
admet-729	170	6	the	the	DET
admet-729	170	7	f	f	PROPN
admet-729	170	8	-	-	PUNCT
admet-729	170	9	g	g	PROPN
admet-729	170	10	loop	loop	NOUN
admet-729	170	11	near	near	ADP
admet-729	170	12	the	the	DET
admet-729	170	13	active	active	ADJ
admet-729	170	14	site	site	NOUN
admet-729	170	15	.	.	PUNCT
admet-729	171	1	model	model	NOUN
admet-729	171	2	3nxu	3nxu	PROPN
admet-729	171	3	-	-	PUNCT
admet-729	171	4	rit	rit	PROPN
admet-729	171	5	(	(	PUNCT
admet-729	171	6	left	leave	VERB
admet-729	171	7	)	)	PUNCT
admet-729	171	8	and	and	CCONJ
admet-729	171	9	liganded	ligande	VERB
admet-729	171	10	3nxu	3nxu	PROPN
admet-729	171	11	(	(	PUNCT
admet-729	171	12	center	center	NOUN
admet-729	171	13	)	)	PUNCT
admet-729	171	14	.	.	PUNCT
admet-729	172	1	both	both	DET
admet-729	172	2	models	model	NOUN
admet-729	172	3	were	be	AUX
admet-729	172	4	aligned	align	VERB
admet-729	172	5	in	in	ADP
admet-729	172	6	space	space	NOUN
admet-729	172	7	(	(	PUNCT
admet-729	172	8	right	right	NOUN
admet-729	172	9	)	)	PUNCT
admet-729	172	10	.	.	PUNCT
admet-729	173	1	liganded	ligande	VERB
admet-729	173	2	3nxu	3nxu	PROPN
admet-729	173	3	(	(	PUNCT
admet-729	173	4	center	center	NOUN
admet-729	173	5	)	)	PUNCT
admet-729	173	6	had	have	VERB
admet-729	173	7	a	a	DET
admet-729	173	8	much	much	ADV
admet-729	173	9	smaller	small	ADJ
admet-729	173	10	mobility	mobility	NOUN
admet-729	173	11	range	range	NOUN
admet-729	173	12	than	than	ADP
admet-729	173	13	3nxu	3nxu	NOUN
admet-729	173	14	-	-	PUNCT
admet-729	173	15	rit	rit	NOUN
admet-729	173	16	(	(	PUNCT
admet-729	173	17	left	leave	VERB
admet-729	173	18	)	)	PUNCT
admet-729	173	19	during	during	ADP
admet-729	173	20	dynamics	dynamic	NOUN
admet-729	173	21	simulation	simulation	NOUN
admet-729	173	22	.	.	PUNCT
admet-729	174	1	figure	figure	NOUN
admet-729	174	2	5	5	NUM
admet-729	174	3	.	.	PUNCT
admet-729	174	4	averaged	average	VERB
admet-729	174	5	rmsd	rmsd	ADJ
admet-729	174	6	calculation	calculation	NOUN
admet-729	174	7	with	with	ADP
admet-729	174	8	the	the	DET
admet-729	174	9	equation	equation	NOUN
admet-729	174	10	(	(	PUNCT
admet-729	174	11	a1	a1	NOUN
admet-729	174	12	-	-	PUNCT
admet-729	174	13	m1	m1	NOUN
admet-729	174	14	)	)	PUNCT
admet-729	175	1	+	+	CCONJ
admet-729	175	2	(	(	PUNCT
admet-729	175	3	a2	a2	PROPN
admet-729	175	4	-	-	PUNCT
admet-729	175	5	m2	m2	PROPN
admet-729	175	6	)	)	PUNCT
admet-729	175	7	.	.	PUNCT
admet-729	176	1	m	m	PROPN
admet-729	176	2	is	be	AUX
admet-729	176	3	the	the	DET
admet-729	176	4	rmsd	rmsd	NOUN
admet-729	176	5	that	that	PRON
admet-729	176	6	expresses	express	VERB
admet-729	176	7	the	the	DET
admet-729	176	8	movement	movement	NOUN
admet-729	176	9	of	of	ADP
admet-729	176	10	a	a	DET
admet-729	176	11	system	system	NOUN
admet-729	176	12	(	(	PUNCT
admet-729	176	13	table	table	NOUN
admet-729	176	14	5	5	NUM
admet-729	176	15	)	)	PUNCT
admet-729	176	16	.	.	PUNCT
admet-729	177	1	a	a	PRON
admet-729	177	2	is	be	AUX
admet-729	177	3	the	the	DET
admet-729	177	4	rmsd	rmsd	NOUN
admet-729	177	5	of	of	ADP
admet-729	177	6	a	a	DET
admet-729	177	7	system	system	NOUN
admet-729	177	8	when	when	SCONJ
admet-729	177	9	compared	compare	VERB
admet-729	177	10	to	to	ADP
admet-729	177	11	the	the	DET
admet-729	177	12	average	average	ADJ
admet-729	177	13	positions	position	NOUN
admet-729	177	14	of	of	ADP
admet-729	177	15	the	the	DET
admet-729	177	16	atoms	atom	NOUN
admet-729	177	17	of	of	ADP
admet-729	177	18	both	both	DET
admet-729	177	19	systems	system	NOUN
admet-729	177	20	.	.	PUNCT
admet-729	178	1	the	the	PRON
admet-729	178	2	higher	high	ADJ
admet-729	178	3	the	the	DET
admet-729	178	4	calculated	calculated	ADJ
admet-729	178	5	value	value	NOUN
admet-729	178	6	,	,	PUNCT
admet-729	178	7	the	the	DET
admet-729	178	8	more	more	ADV
admet-729	178	9	structural	structural	ADJ
admet-729	178	10	differences	difference	NOUN
admet-729	178	11	two	two	NUM
admet-729	178	12	systems	system	NOUN
admet-729	178	13	have	have	VERB
admet-729	178	14	in	in	ADP
admet-729	178	15	an	an	DET
admet-729	178	16	md	md	PROPN
admet-729	178	17	run	run	NOUN
admet-729	178	18	.	.	PUNCT
admet-729	179	1	the	the	DET
admet-729	179	2	results	result	NOUN
admet-729	179	3	of	of	ADP
admet-729	179	4	the	the	DET
admet-729	179	5	recalculated	recalculate	VERB
admet-729	179	6	rmsd	rmsd	NOUN
admet-729	179	7	were	be	AUX
admet-729	179	8	also	also	ADV
admet-729	179	9	summarized	summarize	VERB
admet-729	179	10	(	(	PUNCT
admet-729	179	11	table	table	NOUN
admet-729	179	12	6	6	NUM
admet-729	179	13	)	)	PUNCT
admet-729	179	14	.	.	PUNCT
admet-729	180	1	a	a	DET
admet-729	180	2	higher	high	ADJ
admet-729	180	3	rmsd	rmsd	NOUN
admet-729	180	4	in	in	ADP
admet-729	180	5	columns	column	NOUN
admet-729	180	6	5	5	NUM
admet-729	180	7	and	and	CCONJ
admet-729	180	8	6	6	NUM
admet-729	180	9	of	of	ADP
admet-729	180	10	table	table	NOUN
admet-729	180	11	6	6	NUM
admet-729	180	12	expressed	express	VERB
admet-729	180	13	which	which	PRON
admet-729	180	14	of	of	ADP
admet-729	180	15	the	the	DET
admet-729	180	16	two	two	NUM
admet-729	180	17	systems	system	NOUN
admet-729	180	18	moved	move	VERB
admet-729	180	19	more	more	ADV
admet-729	180	20	relative	relative	ADJ
admet-729	180	21	to	to	ADP
admet-729	180	22	the	the	DET
admet-729	180	23	other	other	ADJ
admet-729	180	24	one	one	NUM
admet-729	180	25	.	.	PUNCT
admet-729	181	1	if	if	SCONJ
admet-729	181	2	both	both	DET
admet-729	181	3	systems	system	NOUN
admet-729	181	4	moved	move	VERB
admet-729	181	5	in	in	ADP
admet-729	181	6	a	a	DET
admet-729	181	7	similar	similar	ADJ
admet-729	181	8	way	way	NOUN
admet-729	181	9	they	they	PRON
admet-729	181	10	would	would	AUX
admet-729	181	11	have	have	VERB
admet-729	181	12	comparable	comparable	ADJ
admet-729	181	13	rmsd	rmsd	NOUN
admet-729	181	14	values	value	NOUN
admet-729	181	15	.	.	PUNCT
admet-729	182	1	as	as	ADP
admet-729	182	2	indicator	indicator	NOUN
admet-729	182	3	of	of	ADP
admet-729	182	4	changes	change	NOUN
admet-729	182	5	only	only	ADV
admet-729	182	6	atoms	atom	NOUN
admet-729	182	7	belonging	belong	VERB
admet-729	182	8	to	to	ADP
admet-729	182	9	the	the	DET
admet-729	182	10	active	active	ADJ
admet-729	182	11	site	site	NOUN
admet-729	182	12	and	and	CCONJ
admet-729	182	13	the	the	DET
admet-729	182	14	main	main	ADJ
admet-729	182	15	chain	chain	NOUN
admet-729	182	16	atoms	atom	NOUN
admet-729	182	17	were	be	AUX
admet-729	182	18	considered	consider	VERB
admet-729	182	19	.	.	PUNCT
admet-729	183	1	upon	upon	SCONJ
admet-729	183	2	calculating	calculate	VERB
admet-729	183	3	the	the	DET
admet-729	183	4	difference	difference	NOUN
admet-729	183	5	between	between	ADP
admet-729	183	6	a1	a1	NOUN
admet-729	183	7	and	and	CCONJ
admet-729	183	8	a2	a2	PROPN
admet-729	183	9	(	(	PUNCT
admet-729	183	10	figure	figure	NOUN
admet-729	183	11	5	5	NUM
admet-729	183	12	)	)	PUNCT
admet-729	183	13	,	,	PUNCT
admet-729	183	14	it	it	PRON
admet-729	183	15	becomes	become	VERB
admet-729	183	16	evident	evident	ADJ
admet-729	183	17	that	that	SCONJ
admet-729	183	18	the	the	DET
admet-729	183	19	lowest	low	ADJ
admet-729	183	20	dynamic	dynamic	ADJ
admet-729	183	21	differences	difference	NOUN
admet-729	183	22	belong	belong	VERB
admet-729	183	23	to	to	ADP
admet-729	183	24	the	the	DET
admet-729	183	25	pairs	pair	NOUN
admet-729	183	26	1tqn+rit	1tqn+rit	NUM
admet-729	183	27	and	and	CCONJ
admet-729	183	28	liganded	ligande	VERB
admet-729	183	29	3nxu	3nxu	PROPN
admet-729	183	30	,	,	PUNCT
admet-729	183	31	and	and	CCONJ
admet-729	183	32	unliganded	unligande	VERB
admet-729	183	33	1tqn	1tqn	NUM
admet-729	183	34	and	and	CCONJ
admet-729	183	35	3nxurit	3nxurit	NUM
admet-729	183	36	.	.	PUNCT
admet-729	184	1	another	another	DET
admet-729	184	2	bias	bias	NOUN
admet-729	184	3	(	(	PUNCT
admet-729	184	4	unfair	unfair	ADJ
admet-729	184	5	treatment	treatment	NOUN
admet-729	184	6	of	of	ADP
admet-729	184	7	numeric	numeric	ADJ
admet-729	184	8	data	datum	NOUN
admet-729	184	9	)	)	PUNCT
admet-729	184	10	was	be	AUX
admet-729	184	11	detected	detect	VERB
admet-729	184	12	,	,	PUNCT
admet-729	184	13	namely	namely	ADV
admet-729	184	14	the	the	DET
admet-729	184	15	initial	initial	ADJ
admet-729	184	16	atom	atom	NOUN
admet-729	184	17	position	position	NOUN
admet-729	184	18	admet	admet	NOUN
admet-729	184	19	&	&	CCONJ
admet-729	184	20	dmpk	dmpk	PROPN
admet-729	184	21	7(4	7(4	NUM
admet-729	184	22	)	)	PUNCT
admet-729	184	23	(	(	PUNCT
admet-729	184	24	2019	2019	NUM
admet-729	184	25	)	)	PUNCT
admet-729	184	26	252	252	NUM
admet-729	184	27	-	-	SYM
admet-729	184	28	266	266	NUM
admet-729	184	29	induced	induce	VERB
admet-729	184	30	fit	fit	NOUN
admet-729	184	31	of	of	ADP
admet-729	184	32	cyp3a4	cyp3a4	PROPN
admet-729	184	33	doi	doi	PROPN
admet-729	184	34	:	:	PUNCT
admet-729	184	35	10.5599	10.5599	NUM
admet-729	184	36	/	/	SYM
admet-729	184	37	admet.729	admet.729	ADJ
admet-729	184	38	261	261	NUM
admet-729	184	39	dependence	dependence	NOUN
admet-729	184	40	for	for	ADP
admet-729	184	41	the	the	DET
admet-729	184	42	developing	develop	VERB
admet-729	184	43	trajectories	trajectory	NOUN
admet-729	184	44	as	as	SCONJ
admet-729	184	45	shown	show	VERB
admet-729	184	46	by	by	ADP
admet-729	184	47	the	the	DET
admet-729	184	48	values	value	NOUN
admet-729	184	49	in	in	ADP
admet-729	184	50	column	column	NOUN
admet-729	184	51	7	7	NUM
admet-729	184	52	in	in	ADP
admet-729	184	53	table	table	NOUN
admet-729	184	54	6	6	NUM
admet-729	184	55	.	.	PUNCT
admet-729	185	1	those	those	DET
admet-729	185	2	md	md	PROPN
admet-729	185	3	data	data	PROPN
admet-729	185	4	were	be	AUX
admet-729	185	5	the	the	DET
admet-729	185	6	ones	one	NOUN
admet-729	185	7	that	that	PRON
admet-729	185	8	had	have	VERB
admet-729	185	9	the	the	DET
admet-729	185	10	greatest	great	ADJ
admet-729	185	11	structural	structural	ADJ
admet-729	185	12	similarities	similarity	NOUN
admet-729	185	13	when	when	SCONJ
admet-729	185	14	generated	generate	VERB
admet-729	185	15	from	from	ADP
admet-729	185	16	the	the	DET
admet-729	185	17	same	same	ADJ
admet-729	185	18	input	input	NOUN
admet-729	185	19	model	model	NOUN
admet-729	185	20	.	.	PUNCT
admet-729	186	1	precisely	precisely	ADV
admet-729	186	2	,	,	PUNCT
admet-729	186	3	this	this	DET
admet-729	186	4	finding	finding	NOUN
admet-729	186	5	paved	pave	VERB
admet-729	186	6	the	the	DET
admet-729	186	7	way	way	NOUN
admet-729	186	8	to	to	ADP
admet-729	186	9	work	work	NOUN
admet-729	186	10	-	-	PUNCT
admet-729	186	11	around	around	ADP
admet-729	186	12	the	the	DET
admet-729	186	13	initial	initial	ADJ
admet-729	186	14	position	position	NOUN
admet-729	186	15	bias	bias	NOUN
admet-729	186	16	by	by	ADP
admet-729	186	17	recalculating	recalculate	VERB
admet-729	186	18	rmsd	rmsd	NOUN
admet-729	186	19	of	of	ADP
admet-729	186	20	system1	system1	NOUN
admet-729	186	21	and	and	CCONJ
admet-729	186	22	system2	system2	NOUN
admet-729	186	23	(	(	PUNCT
admet-729	186	24	the	the	DET
admet-729	186	25	liganded	ligande	VERB
admet-729	186	26	and	and	CCONJ
admet-729	186	27	unliganded	unliganded	ADJ
admet-729	186	28	models	model	NOUN
admet-729	186	29	)	)	PUNCT
admet-729	186	30	.	.	PUNCT
admet-729	187	1	table	table	NOUN
admet-729	187	2	6	6	NUM
admet-729	187	3	.	.	PUNCT
admet-729	188	1	structural	structural	ADJ
admet-729	188	2	and	and	CCONJ
admet-729	188	3	dynamic	dynamic	ADJ
admet-729	188	4	differences	difference	NOUN
admet-729	188	5	in	in	ADP
admet-729	188	6	the	the	DET
admet-729	188	7	modeled	model	VERB
admet-729	188	8	systems	system	NOUN
admet-729	188	9	for	for	ADP
admet-729	188	10	this	this	DET
admet-729	188	11	study	study	NOUN
admet-729	188	12	(	(	PUNCT
admet-729	188	13	1tqn	1tqn	NUM
admet-729	188	14	-	-	PUNCT
admet-729	188	15	rit	rit	NOUN
admet-729	188	16	,	,	PUNCT
admet-729	188	17	1tqn	1tqn	NUM
admet-729	188	18	+	+	CCONJ
admet-729	188	19	rit	rit	NOUN
admet-729	188	20	,	,	PUNCT
admet-729	188	21	3nxu	3nxu	PROPN
admet-729	188	22	-	-	PUNCT
admet-729	188	23	rit	rit	PROPN
admet-729	188	24	and	and	CCONJ
admet-729	188	25	3nxu	3nxu	PROPN
admet-729	188	26	+	+	CCONJ
admet-729	188	27	rit	rit	NOUN
admet-729	188	28	)	)	PUNCT
admet-729	188	29	measured	measure	VERB
admet-729	188	30	as	as	ADP
admet-729	188	31	rmsd	rmsd	NOUN
admet-729	188	32	(	(	PUNCT
admet-729	188	33	in	in	ADP
admet-729	188	34	å	å	NOUN
admet-729	188	35	)	)	PUNCT
admet-729	188	36	.	.	PUNCT
admet-729	189	1	the	the	DET
admet-729	189	2	comparison	comparison	NOUN
admet-729	189	3	between	between	ADP
admet-729	189	4	the	the	DET
admet-729	189	5	four	four	NUM
admet-729	189	6	systems	system	NOUN
admet-729	189	7	is	be	AUX
admet-729	189	8	made	make	VERB
admet-729	189	9	among	among	ADP
admet-729	189	10	themselves	themselves	PRON
admet-729	189	11	taking	take	VERB
admet-729	189	12	into	into	ADP
admet-729	189	13	account	account	NOUN
admet-729	189	14	the	the	DET
admet-729	189	15	six	six	NUM
admet-729	189	16	possible	possible	ADJ
admet-729	189	17	combinations	combination	NOUN
admet-729	189	18	of	of	ADP
admet-729	189	19	table	table	NOUN
admet-729	189	20	2	2	NUM
admet-729	189	21	.	.	PUNCT
admet-729	190	1	m1	m1	PROPN
admet-729	190	2	and	and	CCONJ
admet-729	190	3	m2	m2	PROPN
admet-729	190	4	are	be	AUX
admet-729	190	5	the	the	DET
admet-729	190	6	values	value	NOUN
admet-729	190	7	of	of	ADP
admet-729	190	8	rmsd	rmsd	NOUN
admet-729	190	9	for	for	ADP
admet-729	190	10	the	the	DET
admet-729	190	11	calculated	calculate	VERB
admet-729	190	12	movement	movement	NOUN
admet-729	190	13	of	of	ADP
admet-729	190	14	systems	system	NOUN
admet-729	190	15	1	1	NUM
admet-729	190	16	and	and	CCONJ
admet-729	190	17	2	2	NUM
admet-729	190	18	respectively	respectively	ADV
admet-729	190	19	in	in	ADP
admet-729	190	20	table	table	NOUN
admet-729	190	21	5	5	NUM
admet-729	190	22	.	.	PUNCT
admet-729	191	1	a1	a1	NOUN
admet-729	191	2	and	and	CCONJ
admet-729	191	3	a2	a2	PROPN
admet-729	191	4	represent	represent	VERB
admet-729	191	5	the	the	DET
admet-729	191	6	rmsd	rmsd	NOUN
admet-729	191	7	of	of	ADP
admet-729	191	8	systems	system	NOUN
admet-729	191	9	1	1	NUM
admet-729	191	10	and	and	CCONJ
admet-729	191	11	2	2	NUM
admet-729	191	12	respectively	respectively	ADV
admet-729	191	13	,	,	PUNCT
admet-729	191	14	having	have	VERB
admet-729	191	15	as	as	SCONJ
admet-729	191	16	reference	reference	VERB
admet-729	191	17	the	the	DET
admet-729	191	18	average	average	ADJ
admet-729	191	19	positions	position	NOUN
admet-729	191	20	of	of	ADP
admet-729	191	21	the	the	DET
admet-729	191	22	atoms	atom	NOUN
admet-729	191	23	of	of	ADP
admet-729	191	24	both	both	DET
admet-729	191	25	systems	system	NOUN
admet-729	191	26	.	.	PUNCT
admet-729	192	1	(	(	PUNCT
admet-729	192	2	m1	m1	NOUN
admet-729	192	3	-	-	PUNCT
admet-729	192	4	a1	a1	NOUN
admet-729	192	5	)	)	PUNCT
admet-729	193	1	+	+	CCONJ
admet-729	193	2	(	(	PUNCT
admet-729	193	3	m2	m2	PROPN
admet-729	193	4	-	-	PUNCT
admet-729	193	5	a2	a2	NOUN
admet-729	193	6	)	)	PUNCT
admet-729	193	7	measures	measure	VERB
admet-729	193	8	the	the	DET
admet-729	193	9	differences	difference	NOUN
admet-729	193	10	between	between	ADP
admet-729	193	11	systems	system	NOUN
admet-729	193	12	1	1	NUM
admet-729	193	13	and	and	CCONJ
admet-729	193	14	2	2	NUM
admet-729	193	15	.	.	X
admet-729	194	1	system1	system1	NOUN
admet-729	194	2	system2	system2	PUNCT
admet-729	195	1	m1	m1	NOUN
admet-729	195	2	m2	m2	PROPN
admet-729	195	3	a1	a1	PROPN
admet-729	195	4	a2	a2	PROPN
admet-729	195	5	(	(	PUNCT
admet-729	195	6	a1	a1	NOUN
admet-729	195	7	-	-	PUNCT
admet-729	195	8	m1)+(a2	m1)+(a2	NOUN
admet-729	195	9	-	-	PUNCT
admet-729	195	10	m2	m2	NOUN
admet-729	195	11	)	)	PUNCT
admet-729	195	12	3nxu	3nxu	PROPN
admet-729	195	13	-	-	PUNCT
admet-729	195	14	rit	rit	NOUN
admet-729	195	15	3nxu+rit	3nxu+rit	NUM
admet-729	195	16	2.2	2.2	NUM
admet-729	195	17	1.2	1.2	NUM
admet-729	195	18	1.5	1.5	NUM
admet-729	195	19	1.2	1.2	NUM
admet-729	195	20	-0.6	-0.6	NOUN
admet-729	195	21	1tqn	1tqn	NUM
admet-729	195	22	-	-	PUNCT
admet-729	195	23	rit	rit	NOUN
admet-729	195	24	1tqn+rit	1tqn+rit	NUM
admet-729	195	25	2.0	2.0	NUM
admet-729	195	26	1.2	1.2	NUM
admet-729	195	27	1.7	1.7	NUM
admet-729	195	28	1.5	1.5	NUM
admet-729	195	29	0.0	0.0	NUM
admet-729	195	30	1tqn+rit	1tqn+rit	NUM
admet-729	195	31	3nxu	3nxu	NUM
admet-729	195	32	-	-	PUNCT
admet-729	195	33	rit	rit	NOUN
admet-729	195	34	1.2	1.2	NUM
admet-729	195	35	2.2	2.2	NUM
admet-729	195	36	1.8	1.8	NUM
admet-729	195	37	2.0	2.0	NUM
admet-729	195	38	0.4	0.4	NUM
admet-729	195	39	1tqn	1tqn	NUM
admet-729	195	40	-	-	PUNCT
admet-729	195	41	rit	rit	NOUN
admet-729	195	42	3nxu	3nxu	PROPN
admet-729	195	43	-	-	PUNCT
admet-729	195	44	rit	rit	NOUN
admet-729	195	45	2.0	2.0	NUM
admet-729	195	46	2.2	2.2	NUM
admet-729	195	47	2.5	2.5	NUM
admet-729	195	48	2.5	2.5	NUM
admet-729	195	49	0.8	0.8	NUM
admet-729	195	50	1tqn+rit	1tqn+rit	NUM
admet-729	195	51	3nxu+rit	3nxu+rit	NUM
admet-729	195	52	1.2	1.2	NUM
admet-729	195	53	1.2	1.2	NUM
admet-729	195	54	2.0	2.0	NUM
admet-729	195	55	2.0	2.0	NUM
admet-729	195	56	1.6	1.6	NUM
admet-729	195	57	1tqn	1tqn	NUM
admet-729	195	58	-	-	PUNCT
admet-729	195	59	rit	rit	NOUN
admet-729	195	60	3nxu+rit	3nxu+rit	NUM
admet-729	195	61	2.0	2.0	NUM
admet-729	195	62	1.2	1.2	NUM
admet-729	195	63	2.7	2.7	NUM
admet-729	195	64	2.6	2.6	NUM
admet-729	195	65	2.2	2.2	NUM
admet-729	195	66	figure	figure	NOUN
admet-729	195	67	6	6	NUM
admet-729	195	68	shows	show	VERB
admet-729	195	69	illustrations	illustration	NOUN
admet-729	195	70	of	of	ADP
admet-729	195	71	the	the	DET
admet-729	195	72	model	model	NOUN
admet-729	195	73	dynamics	dynamic	NOUN
admet-729	195	74	and	and	CCONJ
admet-729	195	75	representative	representative	NOUN
admet-729	195	76	(	(	PUNCT
admet-729	195	77	averaged	averaged	ADJ
admet-729	195	78	)	)	PUNCT
admet-729	195	79	structures	structure	NOUN
admet-729	195	80	thereof	thereof	ADV
admet-729	195	81	.	.	PUNCT
admet-729	196	1	in	in	ADP
admet-729	196	2	particular	particular	ADJ
admet-729	196	3	,	,	PUNCT
admet-729	196	4	it	it	PRON
admet-729	196	5	displays	display	VERB
admet-729	196	6	the	the	DET
admet-729	196	7	superpositions	superposition	NOUN
admet-729	196	8	with	with	ADP
admet-729	196	9	the	the	DET
admet-729	196	10	f	f	PROPN
admet-729	196	11	-	-	PUNCT
admet-729	196	12	g	g	PROPN
admet-729	196	13	loop	loop	NOUN
admet-729	196	14	.	.	PUNCT
admet-729	197	1	systems	system	NOUN
admet-729	197	2	with	with	ADP
admet-729	197	3	ritonavir	ritonavir	PROPN
admet-729	197	4	have	have	VERB
admet-729	197	5	a	a	DET
admet-729	197	6	smaller	small	ADJ
admet-729	197	7	range	range	NOUN
admet-729	197	8	of	of	ADP
admet-729	197	9	movement	movement	NOUN
admet-729	197	10	than	than	ADP
admet-729	197	11	those	those	PRON
admet-729	197	12	without	without	ADP
admet-729	197	13	ritonavir	ritonavir	PRON
admet-729	197	14	in	in	ADP
admet-729	197	15	the	the	DET
admet-729	197	16	superposed	superpose	VERB
admet-729	197	17	region	region	NOUN
admet-729	197	18	and	and	CCONJ
admet-729	197	19	elsewhere	elsewhere	ADV
admet-729	197	20	occupy	occupy	VERB
admet-729	197	21	different	different	ADJ
admet-729	197	22	locations	location	NOUN
admet-729	197	23	(	(	PUNCT
admet-729	197	24	midsection	midsection	NOUN
admet-729	197	25	in	in	ADP
admet-729	197	26	figure	figure	NOUN
admet-729	197	27	6	6	NUM
admet-729	197	28	)	)	PUNCT
admet-729	197	29	.	.	PUNCT
admet-729	198	1	figure	figure	VERB
admet-729	198	2	6	6	NUM
admet-729	198	3	.	.	PUNCT
admet-729	199	1	superposition	superposition	NOUN
admet-729	199	2	of	of	ADP
admet-729	199	3	md	md	PROPN
admet-729	199	4	conformations	conformation	NOUN
admet-729	199	5	for	for	ADP
admet-729	199	6	the	the	DET
admet-729	199	7	the	the	DET
admet-729	199	8	f	f	PROPN
admet-729	199	9	-	-	PUNCT
admet-729	199	10	g	g	PROPN
admet-729	199	11	loop	loop	NOUN
admet-729	199	12	.	.	PUNCT
admet-729	200	1	the	the	DET
admet-729	200	2	f	f	PROPN
admet-729	200	3	-	-	PUNCT
admet-729	200	4	g	g	NOUN
admet-729	200	5	loops	loop	NOUN
admet-729	200	6	of	of	ADP
admet-729	200	7	our	our	PRON
admet-729	200	8	four	four	NUM
admet-729	200	9	models	model	NOUN
admet-729	200	10	are	be	AUX
admet-729	200	11	compared	compare	VERB
admet-729	200	12	.	.	PUNCT
admet-729	201	1	they	they	PRON
admet-729	201	2	lies	lie	VERB
admet-729	201	3	in	in	ADP
admet-729	201	4	close	close	ADJ
admet-729	201	5	proximity	proximity	NOUN
admet-729	201	6	to	to	ADP
admet-729	201	7	the	the	DET
admet-729	201	8	heme	heme	NOUN
admet-729	201	9	group	group	NOUN
admet-729	201	10	at	at	ADP
admet-729	201	11	the	the	DET
admet-729	201	12	active	active	ADJ
admet-729	201	13	site	site	NOUN
admet-729	201	14	.	.	PUNCT
admet-729	202	1	first	first	ADJ
admet-729	202	2	row	row	NOUN
admet-729	202	3	to	to	ADP
admet-729	202	4	the	the	DET
admet-729	202	5	left	left	NOUN
admet-729	202	6	:	:	PUNCT
admet-729	202	7	the	the	DET
admet-729	202	8	3nxu	3nxu	NUM
admet-729	202	9	-	-	PUNCT
admet-729	202	10	rit	rit	NOUN
admet-729	202	11	systems	system	NOUN
admet-729	202	12	(	(	PUNCT
admet-729	202	13	red	red	PROPN
admet-729	202	14	)	)	PUNCT
admet-729	202	15	superimposed	superimpose	VERB
admet-729	202	16	with	with	ADP
admet-729	202	17	3nxu+rit	3nxu+rit	PROPN
admet-729	202	18	(	(	PUNCT
admet-729	202	19	orange	orange	PROPN
admet-729	202	20	)	)	PUNCT
admet-729	202	21	.	.	PUNCT
admet-729	203	1	second	second	ADJ
admet-729	203	2	row	row	NOUN
admet-729	203	3	to	to	ADP
admet-729	203	4	the	the	DET
admet-729	203	5	left	left	NOUN
admet-729	203	6	:	:	PUNCT
admet-729	203	7	1tqn	1tqn	NUM
admet-729	203	8	-	-	PUNCT
admet-729	203	9	rit	rit	NOUN
admet-729	203	10	(	(	PUNCT
admet-729	203	11	blue	blue	ADJ
admet-729	203	12	)	)	PUNCT
admet-729	203	13	superimposed	superimpose	VERB
admet-729	203	14	with	with	ADP
admet-729	203	15	1tqn+rit	1tqn+rit	NUM
admet-729	203	16	(	(	PUNCT
admet-729	203	17	black	black	NOUN
admet-729	203	18	)	)	PUNCT
admet-729	203	19	.	.	PUNCT
admet-729	204	1	bottom	bottom	PROPN
admet-729	204	2	row	row	NOUN
admet-729	204	3	to	to	ADP
admet-729	204	4	the	the	DET
admet-729	204	5	left	left	NOUN
admet-729	204	6	:	:	PUNCT
admet-729	204	7	1tqn+rit	1tqn+rit	NUM
admet-729	204	8	(	(	PUNCT
admet-729	204	9	black	black	NOUN
admet-729	204	10	)	)	PUNCT
admet-729	204	11	superimposed	superimpose	VERB
admet-729	204	12	with	with	ADP
admet-729	204	13	3nxu	3nxu	PROPN
admet-729	204	14	-	-	PUNCT
admet-729	204	15	rit	rit	PROPN
admet-729	204	16	(	(	PUNCT
admet-729	204	17	red	red	PROPN
admet-729	204	18	)	)	PUNCT
admet-729	204	19	.	.	PUNCT
admet-729	205	1	first	first	ADJ
admet-729	205	2	row	row	NOUN
admet-729	205	3	to	to	ADP
admet-729	205	4	the	the	DET
admet-729	205	5	right	right	NOUN
admet-729	205	6	:	:	PUNCT
admet-729	205	7	3nxu	3nxu	NUM
admet-729	205	8	-	-	PUNCT
admet-729	205	9	rit	rit	PROPN
admet-729	205	10	(	(	PUNCT
admet-729	205	11	red	red	PROPN
admet-729	205	12	)	)	PUNCT
admet-729	205	13	superimposed	superimpose	VERB
admet-729	205	14	with	with	ADP
admet-729	205	15	unliganded	unligande	VERB
admet-729	205	16	1tqn	1tqn	NUM
admet-729	205	17	(	(	PUNCT
admet-729	205	18	blue	blue	NOUN
admet-729	205	19	)	)	PUNCT
admet-729	205	20	.	.	PUNCT
admet-729	206	1	second	second	ADJ
admet-729	206	2	row	row	NOUN
admet-729	206	3	to	to	ADP
admet-729	206	4	the	the	DET
admet-729	206	5	right	right	NOUN
admet-729	206	6	:	:	PUNCT
admet-729	206	7	1tqn+rit	1tqn+rit	NUM
admet-729	206	8	(	(	PUNCT
admet-729	206	9	black	black	NOUN
admet-729	206	10	)	)	PUNCT
admet-729	206	11	superimposed	superimpose	VERB
admet-729	206	12	with	with	ADP
admet-729	206	13	3nxu+rit	3nxu+rit	PROPN
admet-729	206	14	(	(	PUNCT
admet-729	206	15	orange	orange	PROPN
admet-729	206	16	)	)	PUNCT
admet-729	206	17	.	.	PUNCT
admet-729	207	1	bottom	bottom	PROPN
admet-729	207	2	row	row	NOUN
admet-729	207	3	to	to	ADP
admet-729	207	4	the	the	DET
admet-729	207	5	right	right	NOUN
admet-729	207	6	:	:	PUNCT
admet-729	207	7	1tqn	1tqn	NUM
admet-729	207	8	-	-	PUNCT
admet-729	207	9	rit	rit	NOUN
admet-729	207	10	(	(	PUNCT
admet-729	207	11	blue	blue	PROPN
admet-729	207	12	)	)	PUNCT
admet-729	207	13	superimposed	superimpose	VERB
admet-729	207	14	with	with	ADP
admet-729	207	15	3nxu+rit	3nxu+rit	PROPN
admet-729	207	16	(	(	PUNCT
admet-729	207	17	orange	orange	PROPN
admet-729	207	18	)	)	PUNCT
admet-729	207	19	.	.	PUNCT
admet-729	208	1	upon	upon	SCONJ
admet-729	208	2	superposition	superposition	NOUN
admet-729	208	3	of	of	ADP
admet-729	208	4	3nxu	3nxu	PROPN
admet-729	208	5	-	-	PUNCT
admet-729	208	6	rit	rit	NOUN
admet-729	208	7	with	with	ADP
admet-729	208	8	3nxu+rit	3nxu+rit	NUM
admet-729	208	9	(	(	PUNCT
admet-729	208	10	right	right	ADJ
admet-729	208	11	side	side	NOUN
admet-729	208	12	of	of	ADP
admet-729	208	13	figures	figure	NOUN
admet-729	208	14	4	4	NUM
admet-729	208	15	and	and	CCONJ
admet-729	208	16	6	6	NUM
admet-729	208	17	)	)	PUNCT
admet-729	208	18	,	,	PUNCT
admet-729	208	19	the	the	DET
admet-729	208	20	occupied	occupy	VERB
admet-729	208	21	and	and	CCONJ
admet-729	208	22	unoccupied	unoccupied	ADJ
admet-729	208	23	spaces	space	NOUN
admet-729	208	24	at	at	ADP
admet-729	208	25	the	the	DET
admet-729	208	26	active	active	ADJ
admet-729	208	27	sites	site	NOUN
admet-729	208	28	can	can	AUX
admet-729	208	29	be	be	AUX
admet-729	208	30	distinguished	distinguish	VERB
admet-729	208	31	,	,	PUNCT
admet-729	208	32	as	as	SCONJ
admet-729	208	33	it	it	PRON
admet-729	208	34	is	be	AUX
admet-729	208	35	the	the	DET
admet-729	208	36	particular	particular	ADJ
admet-729	208	37	case	case	NOUN
admet-729	208	38	with	with	ADP
admet-729	208	39	the	the	DET
admet-729	208	40	f	f	PROPN
admet-729	208	41	-	-	PUNCT
admet-729	208	42	g	g	PROPN
admet-729	208	43	loop	loop	NOUN
admet-729	208	44	of	of	ADP
admet-729	208	45	3nxu+rit	3nxu+rit	PROPN
admet-729	208	46	(	(	PUNCT
admet-729	208	47	figure	figure	NOUN
admet-729	208	48	7	7	NUM
admet-729	208	49	,	,	PUNCT
admet-729	208	50	orange	orange	ADJ
admet-729	208	51	)	)	PUNCT
admet-729	208	52	.	.	PUNCT
admet-729	209	1	it	it	PRON
admet-729	209	2	is	be	AUX
admet-729	209	3	located	locate	VERB
admet-729	209	4	nearby	nearby	ADV
admet-729	209	5	the	the	DET
admet-729	209	6	heme	heme	NOUN
admet-729	209	7	group	group	NOUN
admet-729	209	8	and	and	CCONJ
admet-729	209	9	ligand	ligand	ADJ
admet-729	209	10	rit	rit	NOUN
admet-729	209	11	,	,	PUNCT
admet-729	209	12	while	while	SCONJ
admet-729	209	13	the	the	DET
admet-729	209	14	f	f	PROPN
admet-729	209	15	-	-	PUNCT
admet-729	209	16	g	g	PROPN
admet-729	209	17	loop	loop	NOUN
admet-729	209	18	of	of	ADP
admet-729	209	19	the	the	DET
admet-729	209	20	quiroga	quiroga	NOUN
admet-729	209	21	and	and	CCONJ
admet-729	209	22	scior	scior	PROPN
admet-729	209	23	admet	admet	PROPN
admet-729	209	24	&	&	CCONJ
admet-729	209	25	dmpk	dmpk	PROPN
admet-729	209	26	7(4	7(4	NUM
admet-729	209	27	)	)	PUNCT
admet-729	209	28	(	(	PUNCT
admet-729	209	29	2019	2019	NUM
admet-729	209	30	)	)	PUNCT
admet-729	209	31	252	252	NUM
admet-729	209	32	-	-	SYM
admet-729	209	33	266	266	NUM
admet-729	209	34	262	262	NUM
admet-729	209	35	3nxu	3nxu	NUM
admet-729	209	36	-	-	PUNCT
admet-729	209	37	rit	rit	NOUN
admet-729	209	38	system	system	NOUN
admet-729	209	39	(	(	PUNCT
admet-729	209	40	figure	figure	NOUN
admet-729	209	41	7	7	NUM
admet-729	209	42	,	,	PUNCT
admet-729	209	43	red	red	ADJ
admet-729	209	44	)	)	PUNCT
admet-729	209	45	is	be	AUX
admet-729	209	46	displaced	displace	VERB
admet-729	209	47	to	to	ADP
admet-729	209	48	a	a	DET
admet-729	209	49	distinct	distinct	ADJ
admet-729	209	50	location	location	NOUN
admet-729	209	51	above	above	ADP
admet-729	209	52	the	the	DET
admet-729	209	53	f	f	PROPN
admet-729	209	54	-	-	PUNCT
admet-729	209	55	g	g	PROPN
admet-729	209	56	loop	loop	NOUN
admet-729	209	57	of	of	ADP
admet-729	209	58	3nxu+rit	3nxu+rit	NUM
admet-729	209	59	.	.	PUNCT
admet-729	210	1	the	the	DET
admet-729	210	2	md	md	PROPN
admet-729	210	3	simulation	simulation	PROPN
admet-729	210	4	allows	allow	VERB
admet-729	210	5	us	we	PRON
admet-729	210	6	to	to	PART
admet-729	210	7	infer	infer	VERB
admet-729	210	8	that	that	SCONJ
admet-729	210	9	this	this	DET
admet-729	210	10	f	f	PROPN
admet-729	210	11	-	-	PUNCT
admet-729	210	12	g	g	PROPN
admet-729	210	13	loop	loop	NOUN
admet-729	210	14	displacement	displacement	NOUN
admet-729	210	15	of	of	ADP
admet-729	210	16	human	human	ADJ
admet-729	210	17	cyp3a4	cyp3a4	PROPN
admet-729	210	18	into	into	ADP
admet-729	210	19	an	an	DET
admet-729	210	20	energetically	energetically	ADV
admet-729	210	21	more	more	ADV
admet-729	210	22	favorable	favorable	ADJ
admet-729	210	23	conformation	conformation	NOUN
admet-729	210	24	fairly	fairly	ADV
admet-729	210	25	reduces	reduce	VERB
admet-729	210	26	strain	strain	NOUN
admet-729	210	27	energy	energy	NOUN
admet-729	210	28	by	by	ADP
admet-729	210	29	steric	steric	ADJ
admet-729	210	30	hindrance	hindrance	NOUN
admet-729	210	31	.	.	PUNCT
admet-729	211	1	the	the	DET
admet-729	211	2	underlying	underlie	VERB
admet-729	211	3	geometrical	geometrical	ADJ
admet-729	211	4	changes	change	NOUN
admet-729	211	5	in	in	ADP
admet-729	211	6	side	side	NOUN
admet-729	211	7	chains	chain	NOUN
admet-729	211	8	and	and	CCONJ
admet-729	211	9	backbone	backbone	NOUN
admet-729	211	10	reflect	reflect	VERB
admet-729	211	11	the	the	DET
admet-729	211	12	enzyme	enzyme	NOUN
admet-729	211	13	’s	’s	PART
admet-729	211	14	capability	capability	NOUN
admet-729	211	15	to	to	PART
admet-729	211	16	metabolize	metabolize	VERB
admet-729	211	17	substrates	substrate	NOUN
admet-729	211	18	with	with	ADP
admet-729	211	19	an	an	DET
admet-729	211	20	even	even	ADV
admet-729	211	21	larger	large	ADJ
admet-729	211	22	volume	volume	NOUN
admet-729	211	23	than	than	ADP
admet-729	211	24	rit	rit	NOUN
admet-729	211	25	–	–	PUNCT
admet-729	211	26	all	all	PRON
admet-729	211	27	of	of	ADP
admet-729	211	28	which	which	PRON
admet-729	211	29	leads	lead	VERB
admet-729	211	30	to	to	ADP
admet-729	211	31	the	the	DET
admet-729	211	32	well	well	ADV
admet-729	211	33	-	-	PUNCT
admet-729	211	34	known	know	VERB
admet-729	211	35	flexibility	flexibility	NOUN
admet-729	211	36	ascribed	ascribe	VERB
admet-729	211	37	to	to	ADP
admet-729	211	38	cyp	cyp	ADJ
admet-729	211	39	enzymes	enzyme	NOUN
admet-729	211	40	in	in	ADP
admet-729	211	41	general	general	ADJ
admet-729	211	42	.	.	PUNCT
admet-729	212	1	as	as	ADP
admet-729	212	2	a	a	DET
admet-729	212	3	direct	direct	ADJ
admet-729	212	4	result	result	NOUN
admet-729	212	5	,	,	PUNCT
admet-729	212	6	our	our	PRON
admet-729	212	7	md	md	PROPN
admet-729	212	8	simulation	simulation	NOUN
admet-729	212	9	provides	provide	VERB
admet-729	212	10	computed	computed	ADJ
admet-729	212	11	evidence	evidence	NOUN
admet-729	212	12	for	for	ADP
admet-729	212	13	induced	induced	ADJ
admet-729	212	14	-	-	PUNCT
admet-729	212	15	fit	fit	NOUN
admet-729	212	16	between	between	ADP
admet-729	212	17	receptor	receptor	NOUN
admet-729	212	18	and	and	CCONJ
admet-729	212	19	ligand	ligand	NOUN
admet-729	212	20	(	(	PUNCT
admet-729	212	21	here	here	ADV
admet-729	212	22	enzyme	enzyme	NOUN
admet-729	212	23	and	and	CCONJ
admet-729	212	24	substrate	substrate	NOUN
admet-729	212	25	)	)	PUNCT
admet-729	212	26	.	.	PUNCT
admet-729	213	1	figure	figure	VERB
admet-729	213	2	7	7	NUM
admet-729	213	3	.	.	PUNCT
admet-729	213	4	left	leave	VERB
admet-729	213	5	panel	panel	NOUN
admet-729	213	6	:	:	PUNCT
admet-729	213	7	superposition	superposition	NOUN
admet-729	213	8	of	of	ADP
admet-729	213	9	md	md	PROPN
admet-729	213	10	conformations	conformation	NOUN
admet-729	213	11	(	(	PUNCT
admet-729	213	12	left	leave	VERB
admet-729	213	13	)	)	PUNCT
admet-729	213	14	with	with	ADP
admet-729	213	15	the	the	DET
admet-729	213	16	f	f	PROPN
admet-729	213	17	-	-	PUNCT
admet-729	213	18	g	g	PROPN
admet-729	213	19	loop	loop	NOUN
admet-729	213	20	near	near	ADP
admet-729	213	21	the	the	DET
admet-729	213	22	active	active	ADJ
admet-729	213	23	site	site	NOUN
admet-729	213	24	of	of	ADP
admet-729	213	25	3nxurit	3nxurit	NUM
admet-729	213	26	(	(	PUNCT
admet-729	213	27	red	red	ADJ
admet-729	213	28	)	)	PUNCT
admet-729	213	29	or	or	CCONJ
admet-729	213	30	liganded	ligande	VERB
admet-729	213	31	3nxu	3nxu	PROPN
admet-729	213	32	(	(	PUNCT
admet-729	213	33	orange	orange	PROPN
admet-729	213	34	)	)	PUNCT
admet-729	213	35	.	.	PUNCT
admet-729	214	1	the	the	DET
admet-729	214	2	liganded	liganded	ADJ
admet-729	214	3	3nxu	3nxu	PROPN
admet-729	214	4	(	(	PUNCT
admet-729	214	5	orange	orange	PROPN
admet-729	214	6	)	)	PUNCT
admet-729	214	7	lies	lie	VERB
admet-729	214	8	in	in	ADP
admet-729	214	9	closer	close	ADJ
admet-729	214	10	proximity	proximity	NOUN
admet-729	214	11	to	to	ADP
admet-729	214	12	heme	heme	NOUN
admet-729	214	13	than	than	ADP
admet-729	214	14	ritonavir	ritonavir	PROPN
admet-729	214	15	during	during	ADP
admet-729	214	16	md	md	PROPN
admet-729	214	17	.	.	PUNCT
admet-729	215	1	right	right	PROPN
admet-729	215	2	panel	panel	NOUN
admet-729	215	3	:	:	PUNCT
admet-729	215	4	root	root	NOUN
admet-729	215	5	mean	mean	ADJ
admet-729	215	6	square	square	ADJ
admet-729	215	7	distance	distance	NOUN
admet-729	215	8	over	over	ADP
admet-729	215	9	time	time	NOUN
admet-729	215	10	plot	plot	NOUN
admet-729	215	11	(	(	PUNCT
admet-729	215	12	rmsd	rmsd	NOUN
admet-729	215	13	)	)	PUNCT
admet-729	215	14	for	for	ADP
admet-729	215	15	the	the	DET
admet-729	215	16	distance	distance	NOUN
admet-729	215	17	between	between	ADP
admet-729	215	18	ritonavir	ritonavir	PROPN
admet-729	215	19	and	and	CCONJ
admet-729	215	20	f	f	PROPN
admet-729	215	21	-	-	PUNCT
admet-729	215	22	g	g	PROPN
admet-729	215	23	loop	loop	NOUN
admet-729	215	24	during	during	ADP
admet-729	215	25	md	md	PROPN
admet-729	215	26	.	.	PROPN
admet-729	215	27	of	of	ADP
admet-729	215	28	note	note	NOUN
admet-729	215	29	,	,	PUNCT
admet-729	215	30	lacking	lack	VERB
admet-729	215	31	substrate	substrate	NOUN
admet-729	215	32	the	the	DET
admet-729	215	33	coordinates	coordinate	NOUN
admet-729	215	34	,	,	PUNCT
admet-729	215	35	the	the	DET
admet-729	215	36	unliganded	unligande	VERB
admet-729	215	37	models	model	NOUN
admet-729	215	38	(	(	PUNCT
admet-729	215	39	here	here	ADV
admet-729	215	40	:	:	PUNCT
admet-729	215	41	3nxu	3nxu	NUM
admet-729	215	42	-	-	PUNCT
admet-729	215	43	rit	rit	NOUN
admet-729	215	44	)	)	PUNCT
admet-729	215	45	the	the	DET
admet-729	215	46	corresponding	correspond	VERB
admet-729	215	47	atoms	atom	NOUN
admet-729	215	48	of	of	ADP
admet-729	215	49	the	the	DET
admet-729	215	50	crystal	crystal	NOUN
admet-729	215	51	structure	structure	NOUN
admet-729	215	52	were	be	AUX
admet-729	215	53	used	use	VERB
admet-729	215	54	as	as	ADP
admet-729	215	55	reference	reference	NOUN
admet-729	215	56	to	to	PART
admet-729	215	57	calculate	calculate	NOUN
admet-729	215	58	rmsd	rmsd	NOUN
admet-729	215	59	.	.	PUNCT
admet-729	216	1	the	the	DET
admet-729	216	2	minimum	minimum	ADJ
admet-729	216	3	distances	distance	NOUN
admet-729	216	4	between	between	ADP
admet-729	216	5	references	reference	NOUN
admet-729	216	6	coordinates	coordinate	NOUN
admet-729	216	7	and	and	CCONJ
admet-729	216	8	protein	protein	NOUN
admet-729	216	9	of	of	ADP
admet-729	216	10	both	both	DET
admet-729	216	11	systems	system	NOUN
admet-729	216	12	(	(	PUNCT
admet-729	216	13	3nxu	3nxu	NOUN
admet-729	216	14	-	-	PUNCT
admet-729	216	15	rit	rit	NOUN
admet-729	216	16	and	and	CCONJ
admet-729	216	17	liganded	ligande	VERB
admet-729	216	18	3nxu	3nxu	NOUN
admet-729	216	19	)	)	PUNCT
admet-729	216	20	were	be	AUX
admet-729	216	21	assessed	assess	VERB
admet-729	216	22	during	during	ADP
admet-729	216	23	60	60	NUM
admet-729	216	24	ns	ns	NUM
admet-729	216	25	.	.	PUNCT
admet-729	216	26	comparing	compare	VERB
admet-729	216	27	the	the	DET
admet-729	216	28	heights	height	NOUN
admet-729	216	29	in	in	ADP
admet-729	216	30	the	the	DET
admet-729	216	31	plot	plot	NOUN
admet-729	216	32	of	of	ADP
admet-729	216	33	the	the	DET
admet-729	216	34	root	root	NOUN
admet-729	216	35	mean	mean	PROPN
admet-729	216	36	square	square	ADJ
admet-729	216	37	fluctuation	fluctuation	NOUN
admet-729	216	38	(	(	PUNCT
admet-729	216	39	rmsf	rmsf	NOUN
admet-729	216	40	)	)	PUNCT
admet-729	216	41	reflects	reflect	VERB
admet-729	216	42	changing	change	VERB
admet-729	216	43	flexibilities	flexibility	NOUN
admet-729	216	44	within	within	ADP
admet-729	216	45	the	the	DET
admet-729	216	46	protein	protein	NOUN
admet-729	216	47	sequences	sequence	NOUN
admet-729	216	48	(	(	PUNCT
admet-729	216	49	figure	figure	NOUN
admet-729	216	50	8)	8)	NUM
admet-729	216	51	.	.	PUNCT
admet-729	217	1	the	the	DET
admet-729	217	2	lower	low	ADJ
admet-729	217	3	fluctuations	fluctuation	NOUN
admet-729	217	4	stem	stem	VERB
admet-729	217	5	from	from	ADP
admet-729	217	6	1tqn+rit	1tqn+rit	NUM
admet-729	217	7	and	and	CCONJ
admet-729	217	8	3nxu+rit	3nxu+rit	NUM
admet-729	217	9	.	.	PUNCT
admet-729	218	1	more	more	ADJ
admet-729	218	2	rigid	rigid	ADJ
admet-729	218	3	regions	region	NOUN
admet-729	218	4	can	can	AUX
admet-729	218	5	be	be	AUX
admet-729	218	6	spotted	spot	VERB
admet-729	218	7	between	between	ADP
admet-729	218	8	them	they	PRON
admet-729	218	9	,	,	PUNCT
admet-729	218	10	too	too	ADV
admet-729	218	11	.	.	PUNCT
admet-729	219	1	the	the	DET
admet-729	219	2	highest	high	ADJ
admet-729	219	3	peaks	peak	NOUN
admet-729	219	4	are	be	AUX
admet-729	219	5	similar	similar	ADJ
admet-729	219	6	sequence	sequence	NOUN
admet-729	219	7	regions	region	NOUN
admet-729	219	8	,	,	PUNCT
admet-729	219	9	between	between	ADP
admet-729	219	10	residue	residue	NOUN
admet-729	219	11	i	i	PROPN
admet-729	219	12	d	d	PROPN
admet-729	219	13	240	240	NUM
admet-729	219	14	,	,	PUNCT
admet-729	219	15	270	270	NUM
admet-729	219	16	,	,	PUNCT
admet-729	219	17	282	282	NUM
admet-729	219	18	,	,	PUNCT
admet-729	219	19	95	95	NUM
admet-729	219	20	and	and	CCONJ
admet-729	219	21	44	44	NUM
admet-729	219	22	.	.	PUNCT
admet-729	220	1	in	in	ADP
admet-729	220	2	good	good	ADJ
admet-729	220	3	keeping	keeping	NOUN
admet-729	220	4	with	with	ADP
admet-729	220	5	the	the	DET
admet-729	220	6	expected	expect	VERB
admet-729	220	7	binding	bind	VERB
admet-729	220	8	relevance	relevance	NOUN
admet-729	220	9	of	of	ADP
admet-729	220	10	the	the	DET
admet-729	220	11	f	f	PROPN
admet-729	220	12	-	-	PUNCT
admet-729	220	13	g	g	PROPN
admet-729	220	14	loop	loop	NOUN
admet-729	220	15	,	,	PUNCT
admet-729	220	16	a	a	DET
admet-729	220	17	mayor	mayor	NOUN
admet-729	220	18	geometrical	geometrical	ADJ
admet-729	220	19	shift	shift	NOUN
admet-729	220	20	had	have	AUX
admet-729	220	21	occurred	occur	VERB
admet-729	220	22	when	when	SCONJ
admet-729	220	23	placing	place	VERB
admet-729	220	24	the	the	DET
admet-729	220	25	drug	drug	NOUN
admet-729	220	26	into	into	ADP
admet-729	220	27	the	the	DET
admet-729	220	28	unbound	unbound	NOUN
admet-729	220	29	enzyme	enzyme	NOUN
admet-729	220	30	structure	structure	NOUN
admet-729	220	31	(	(	PUNCT
admet-729	220	32	1tqn+rit	1tqn+rit	NUM
admet-729	220	33	)	)	PUNCT
admet-729	220	34	.	.	PUNCT
admet-729	221	1	this	this	PRON
admet-729	221	2	constitutes	constitute	VERB
admet-729	221	3	a	a	DET
admet-729	221	4	huge	huge	ADJ
admet-729	221	5	fluctuation	fluctuation	NOUN
admet-729	221	6	near	near	ADP
admet-729	221	7	residue	residue	NOUN
admet-729	221	8	i	i	PROPN
admet-729	221	9	d	d	PROPN
admet-729	221	10	200	200	NUM
admet-729	221	11	.	.	PUNCT
admet-729	222	1	the	the	DET
admet-729	222	2	unbound	unbound	NOUN
admet-729	222	3	start	start	VERB
admet-729	222	4	conformation	conformation	NOUN
admet-729	222	5	had	have	VERB
admet-729	222	6	to	to	PART
admet-729	222	7	adopt	adopt	VERB
admet-729	222	8	geometries	geometry	NOUN
admet-729	222	9	(	(	PUNCT
admet-729	222	10	binding	bind	VERB
admet-729	222	11	conformations	conformation	NOUN
admet-729	222	12	)	)	PUNCT
admet-729	222	13	to	to	PART
admet-729	222	14	accommodate	accommodate	VERB
admet-729	222	15	the	the	DET
admet-729	222	16	ligand	ligand	NOUN
admet-729	222	17	.	.	PUNCT
admet-729	223	1	intriguingly	intriguingly	ADV
admet-729	223	2	,	,	PUNCT
admet-729	223	3	unresolved	unresolved	ADJ
admet-729	223	4	segments	segment	NOUN
admet-729	223	5	in	in	ADP
admet-729	223	6	the	the	DET
admet-729	223	7	crystal	crystal	NOUN
admet-729	223	8	structure	structure	NOUN
admet-729	223	9	(	(	PUNCT
admet-729	223	10	here	here	ADV
admet-729	223	11	regions	region	NOUN
admet-729	223	12	at	at	ADP
admet-729	223	13	residue	residue	NOUN
admet-729	223	14	i	i	PROPN
admet-729	223	15	d	d	PROPN
admet-729	223	16	270	270	NUM
admet-729	223	17	to	to	PART
admet-729	223	18	282	282	NUM
admet-729	223	19	)	)	PUNCT
admet-729	223	20	reflect	reflect	VERB
admet-729	223	21	low	low	ADJ
admet-729	223	22	complexity	complexity	NOUN
admet-729	223	23	areas	area	NOUN
admet-729	223	24	and	and	CCONJ
admet-729	223	25	coincide	coincide	VERB
admet-729	223	26	with	with	ADP
admet-729	223	27	higher	high	ADJ
admet-729	223	28	fluctuations	fluctuation	NOUN
admet-729	223	29	all	all	PRON
admet-729	223	30	of	of	ADP
admet-729	223	31	which	which	PRON
admet-729	223	32	nicely	nicely	ADV
admet-729	223	33	explain	explain	VERB
admet-729	223	34	why	why	SCONJ
admet-729	223	35	they	they	PRON
admet-729	223	36	were	be	AUX
admet-729	223	37	missing	miss	VERB
admet-729	223	38	in	in	ADP
admet-729	223	39	the	the	DET
admet-729	223	40	crystal	crystal	NOUN
admet-729	223	41	structure	structure	NOUN
admet-729	223	42	.	.	PUNCT
admet-729	224	1	in	in	ADP
admet-729	224	2	a	a	DET
admet-729	224	3	more	more	ADV
admet-729	224	4	general	general	ADJ
admet-729	224	5	view	view	NOUN
admet-729	224	6	,	,	PUNCT
admet-729	224	7	md	md	PROPN
admet-729	224	8	studies	study	NOUN
admet-729	224	9	simulate	simulate	VERB
admet-729	224	10	molecular	molecular	ADJ
admet-729	224	11	movements	movement	NOUN
admet-729	224	12	in	in	ADP
admet-729	224	13	water	water	NOUN
admet-729	224	14	solution	solution	NOUN
admet-729	224	15	under	under	ADP
admet-729	224	16	thermodynamic	thermodynamic	ADJ
admet-729	224	17	conditions	condition	NOUN
admet-729	224	18	which	which	PRON
admet-729	224	19	are	be	AUX
admet-729	224	20	relevant	relevant	ADJ
admet-729	224	21	in	in	ADP
admet-729	224	22	biological	biological	ADJ
admet-729	224	23	systems	system	NOUN
admet-729	224	24	,	,	PUNCT
admet-729	224	25	but	but	CCONJ
admet-729	224	26	other	other	ADJ
admet-729	224	27	aspects	aspect	NOUN
admet-729	224	28	may	may	AUX
admet-729	224	29	become	become	VERB
admet-729	224	30	important	important	ADJ
admet-729	224	31	too	too	ADV
admet-729	224	32	:	:	PUNCT
admet-729	224	33	solvent	solvent	ADJ
admet-729	224	34	entropies	entropy	NOUN
admet-729	224	35	from	from	ADP
admet-729	224	36	bulk	bulk	ADJ
admet-729	224	37	water	water	NOUN
admet-729	224	38	and	and	CCONJ
admet-729	224	39	water	water	NOUN
admet-729	224	40	-	-	PUNCT
admet-729	224	41	exclusion	exclusion	NOUN
admet-729	224	42	zones	zone	NOUN
admet-729	224	43	in	in	ADP
admet-729	224	44	lipophilic	lipophilic	ADJ
admet-729	224	45	pockets	pocket	NOUN
admet-729	224	46	or	or	CCONJ
admet-729	224	47	shallow	shallow	ADJ
admet-729	224	48	surfaces	surface	NOUN
admet-729	224	49	,	,	PUNCT
admet-729	224	50	enthalpies	enthalpy	NOUN
admet-729	224	51	from	from	ADP
admet-729	224	52	destabilizing	destabilizing	ADJ
admet-729	224	53	hydrogen	hydrogen	NOUN
admet-729	224	54	bonding	bonding	NOUN
admet-729	224	55	,	,	PUNCT
admet-729	224	56	etc	etc	X
admet-729	224	57	.	.	X
admet-729	224	58	in	in	ADP
admet-729	224	59	sight	sight	NOUN
admet-729	224	60	of	of	ADP
admet-729	224	61	such	such	ADJ
admet-729	224	62	model	model	NOUN
admet-729	224	63	limitations	limitation	NOUN
admet-729	224	64	,	,	PUNCT
admet-729	224	65	trajectory	trajectory	NOUN
admet-729	224	66	interpretation	interpretation	NOUN
admet-729	224	67	was	be	AUX
admet-729	224	68	undertaken	undertake	VERB
admet-729	224	69	with	with	ADP
admet-729	224	70	utmost	utmost	ADJ
admet-729	224	71	caution	caution	NOUN
admet-729	224	72	.	.	PUNCT
admet-729	225	1	moreover	moreover	ADV
admet-729	225	2	,	,	PUNCT
admet-729	225	3	the	the	DET
admet-729	225	4	physical	physical	ADJ
admet-729	225	5	and	and	CCONJ
admet-729	225	6	chemical	chemical	NOUN
admet-729	225	7	microconditions	microcondition	NOUN
admet-729	225	8	(	(	PUNCT
admet-729	225	9	temperature	temperature	NOUN
admet-729	225	10	and	and	CCONJ
admet-729	225	11	molecular	molecular	ADJ
admet-729	225	12	neighborhood	neighborhood	NOUN
admet-729	225	13	effects	effect	NOUN
admet-729	225	14	)	)	PUNCT
admet-729	225	15	at	at	ADP
admet-729	225	16	the	the	DET
admet-729	225	17	moment	moment	NOUN
admet-729	225	18	of	of	ADP
admet-729	225	19	crystallogenesis	crystallogenesis	NOUN
admet-729	225	20	or	or	CCONJ
admet-729	225	21	crystallography	crystallography	NOUN
admet-729	225	22	are	be	AUX
admet-729	225	23	fairly	fairly	ADV
admet-729	225	24	different	different	ADJ
admet-729	225	25	from	from	ADP
admet-729	225	26	the	the	DET
admet-729	225	27	physiological	physiological	ADJ
admet-729	225	28	ones	one	NOUN
admet-729	225	29	in	in	ADP
admet-729	225	30	living	living	NOUN
admet-729	225	31	cells	cell	NOUN
admet-729	225	32	all	all	PRON
admet-729	225	33	of	of	ADP
admet-729	225	34	which	which	PRON
admet-729	225	35	can	can	AUX
admet-729	225	36	cause	cause	VERB
admet-729	225	37	artifacts	artifact	NOUN
admet-729	225	38	admet	admet	PROPN
admet-729	225	39	&	&	CCONJ
admet-729	225	40	dmpk	dmpk	PROPN
admet-729	225	41	7(4	7(4	NUM
admet-729	225	42	)	)	PUNCT
admet-729	225	43	(	(	PUNCT
admet-729	225	44	2019	2019	NUM
admet-729	225	45	)	)	PUNCT
admet-729	225	46	252	252	NUM
admet-729	225	47	-	-	SYM
admet-729	225	48	266	266	NUM
admet-729	225	49	induced	induce	VERB
admet-729	225	50	fit	fit	NOUN
admet-729	225	51	of	of	ADP
admet-729	225	52	cyp3a4	cyp3a4	PROPN
admet-729	225	53	doi	doi	PROPN
admet-729	225	54	:	:	PUNCT
admet-729	225	55	10.5599	10.5599	NUM
admet-729	225	56	/	/	SYM
admet-729	225	57	admet.729	admet.729	PROPN
admet-729	225	58	263	263	NUM
admet-729	225	59	of	of	ADP
admet-729	225	60	(	(	PUNCT
admet-729	225	61	starting	start	VERB
admet-729	225	62	)	)	PUNCT
admet-729	225	63	geometries	geometry	NOUN
admet-729	225	64	[	[	X
admet-729	225	65	21	21	NUM
admet-729	225	66	]	]	PUNCT
admet-729	225	67	.	.	PUNCT
admet-729	226	1	in	in	ADP
admet-729	226	2	our	our	PRON
admet-729	226	3	case	case	NOUN
admet-729	226	4	,	,	PUNCT
admet-729	226	5	the	the	DET
admet-729	226	6	average	average	ADJ
admet-729	226	7	positions	position	NOUN
admet-729	226	8	of	of	ADP
admet-729	226	9	the	the	DET
admet-729	226	10	f	f	PROPN
admet-729	226	11	-	-	PUNCT
admet-729	226	12	g	g	PROPN
admet-729	226	13	loop	loop	NOUN
admet-729	226	14	of	of	ADP
admet-729	226	15	cyp3a4	cyp3a4	NOUN
admet-729	226	16	of	of	ADP
admet-729	226	17	the	the	DET
admet-729	226	18	unliganded	unliganded	ADJ
admet-729	226	19	1tqn	1tqn	NUM
admet-729	226	20	system	system	NOUN
admet-729	226	21	could	could	AUX
admet-729	226	22	not	not	PART
admet-729	226	23	approach	approach	VERB
admet-729	226	24	the	the	DET
admet-729	226	25	central	central	ADJ
admet-729	226	26	heme	heme	NOUN
admet-729	226	27	group	group	NOUN
admet-729	226	28	,	,	PUNCT
admet-729	226	29	giving	give	VERB
admet-729	226	30	way	way	NOUN
admet-729	226	31	for	for	ADP
admet-729	226	32	a	a	DET
admet-729	226	33	larger	large	ADJ
admet-729	226	34	cavity	cavity	NOUN
admet-729	226	35	and	and	CCONJ
admet-729	226	36	yielding	yield	VERB
admet-729	226	37	higher	high	ADJ
admet-729	226	38	geometric	geometric	ADJ
admet-729	226	39	similarities	similarity	NOUN
admet-729	226	40	with	with	ADP
admet-729	226	41	the	the	DET
admet-729	226	42	crystal	crystal	NOUN
admet-729	226	43	structure	structure	NOUN
admet-729	226	44	of	of	ADP
admet-729	226	45	cyp3a4	cyp3a4	PROPN
admet-729	226	46	(	(	PUNCT
admet-729	226	47	3nxu	3nxu	PROPN
admet-729	226	48	-	-	PUNCT
admet-729	226	49	rit	rit	NOUN
admet-729	226	50	)	)	PUNCT
admet-729	226	51	.	.	PUNCT
admet-729	227	1	this	this	PRON
admet-729	227	2	is	be	AUX
admet-729	227	3	in	in	ADP
admet-729	227	4	keeping	keep	VERB
admet-729	227	5	with	with	ADP
admet-729	227	6	published	publish	VERB
admet-729	227	7	findings	finding	NOUN
admet-729	227	8	[	[	X
admet-729	227	9	26	26	NUM
admet-729	227	10	]	]	PUNCT
admet-729	227	11	because	because	SCONJ
admet-729	227	12	our	our	PRON
admet-729	227	13	rmsd	rmsd	NOUN
admet-729	227	14	data	datum	NOUN
admet-729	227	15	showed	show	VERB
admet-729	227	16	that	that	SCONJ
admet-729	227	17	the	the	DET
admet-729	227	18	movements	movement	NOUN
admet-729	227	19	of	of	ADP
admet-729	227	20	enzyme	enzyme	NOUN
admet-729	227	21	-	-	PUNCT
admet-729	227	22	substrate	substrate	NOUN
admet-729	227	23	complexes	complex	NOUN
admet-729	227	24	become	become	VERB
admet-729	227	25	more	more	ADV
admet-729	227	26	restricted	restricted	ADJ
admet-729	227	27	than	than	ADP
admet-729	227	28	their	their	PRON
admet-729	227	29	unliganded	unliganded	ADJ
admet-729	227	30	counterparts	counterpart	NOUN
admet-729	227	31	.	.	PUNCT
admet-729	228	1	figure	figure	VERB
admet-729	228	2	8	8	NUM
admet-729	228	3	.	.	PUNCT
admet-729	229	1	root	root	NOUN
admet-729	229	2	mean	mean	PROPN
admet-729	229	3	square	square	PROPN
admet-729	229	4	fluctuation	fluctuation	NOUN
admet-729	229	5	plot	plot	NOUN
admet-729	229	6	(	(	PUNCT
admet-729	229	7	rmsf	rmsf	NOUN
admet-729	229	8	)	)	PUNCT
admet-729	229	9	.	.	PUNCT
admet-729	230	1	the	the	DET
admet-729	230	2	x	x	VERB
admet-729	230	3	axis	axis	NOUN
admet-729	230	4	represents	represent	VERB
admet-729	230	5	the	the	DET
admet-729	230	6	residues	residue	NOUN
admet-729	230	7	of	of	ADP
admet-729	230	8	the	the	DET
admet-729	230	9	primary	primary	ADJ
admet-729	230	10	sequence	sequence	NOUN
admet-729	230	11	.	.	PUNCT
admet-729	231	1	the	the	DET
admet-729	231	2	y	y	PROPN
admet-729	231	3	axis	axis	PROPN
admet-729	231	4	quantifies	quantifie	NOUN
admet-729	231	5	the	the	DET
admet-729	231	6	corresponding	corresponding	ADJ
admet-729	231	7	movement	movement	NOUN
admet-729	231	8	of	of	ADP
admet-729	231	9	each	each	DET
admet-729	231	10	residue	residue	NOUN
admet-729	231	11	measured	measure	VERB
admet-729	231	12	in	in	ADP
admet-729	231	13	[	[	X
admet-729	231	14	å	å	X
admet-729	231	15	]	]	X
admet-729	231	16	.	.	PUNCT
admet-729	232	1	the	the	PRON
admet-729	232	2	higher	high	ADJ
admet-729	232	3	the	the	DET
admet-729	232	4	y	y	PROPN
admet-729	232	5	value	value	NOUN
admet-729	232	6	,	,	PUNCT
admet-729	232	7	the	the	PRON
admet-729	232	8	higher	high	ADJ
admet-729	232	9	the	the	DET
admet-729	232	10	mobility	mobility	NOUN
admet-729	232	11	of	of	ADP
admet-729	232	12	adjacent	adjacent	ADJ
admet-729	232	13	residues	residue	NOUN
admet-729	232	14	in	in	ADP
admet-729	232	15	segment	segment	NOUN
admet-729	232	16	of	of	ADP
admet-729	232	17	the	the	DET
admet-729	232	18	protein	protein	NOUN
admet-729	232	19	.	.	PUNCT
admet-729	233	1	the	the	DET
admet-729	233	2	four	four	NUM
admet-729	233	3	combinations	combination	NOUN
admet-729	233	4	of	of	ADP
admet-729	233	5	the	the	DET
admet-729	233	6	liganded	ligande	VERB
admet-729	233	7	/	/	SYM
admet-729	233	8	unliganded	unligande	VERB
admet-729	233	9	pair	pair	NOUN
admet-729	233	10	are	be	AUX
admet-729	233	11	color	color	NOUN
admet-729	233	12	coded	code	VERB
admet-729	233	13	(	(	PUNCT
admet-729	233	14	inlay	inlay	NOUN
admet-729	233	15	panel	panel	NOUN
admet-729	233	16	)	)	PUNCT
admet-729	233	17	.	.	PUNCT
admet-729	234	1	conclusions	conclusion	NOUN
admet-729	234	2	the	the	DET
admet-729	234	3	induced	induced	ADJ
admet-729	234	4	fit	fit	ADJ
admet-729	234	5	or	or	CCONJ
admet-729	234	6	conformational	conformational	ADJ
admet-729	234	7	selection	selection	NOUN
admet-729	234	8	process	process	NOUN
admet-729	234	9	between	between	ADP
admet-729	234	10	drug	drug	NOUN
admet-729	234	11	and	and	CCONJ
admet-729	234	12	cytochrome	cytochrome	ADJ
admet-729	234	13	p450	p450	NUM
admet-729	234	14	enzymes	enzyme	NOUN
admet-729	234	15	(	(	PUNCT
admet-729	234	16	cyp	cyp	ADJ
admet-729	234	17	)	)	PUNCT
admet-729	234	18	was	be	AUX
admet-729	234	19	studied	study	VERB
admet-729	234	20	by	by	ADP
admet-729	234	21	molecular	molecular	ADJ
admet-729	234	22	dynamics	dynamic	NOUN
admet-729	234	23	simulations	simulation	NOUN
admet-729	234	24	.	.	PUNCT
admet-729	235	1	the	the	DET
admet-729	235	2	study	study	NOUN
admet-729	235	3	demonstrates	demonstrate	VERB
admet-729	235	4	that	that	SCONJ
admet-729	235	5	the	the	DET
admet-729	235	6	smallest	small	ADJ
admet-729	235	7	dynamic	dynamic	ADJ
admet-729	235	8	differences	difference	NOUN
admet-729	235	9	are	be	AUX
admet-729	235	10	met	meet	VERB
admet-729	235	11	in	in	ADP
admet-729	235	12	pairs	pair	NOUN
admet-729	235	13	which	which	PRON
admet-729	235	14	share	share	VERB
admet-729	235	15	either	either	CCONJ
admet-729	235	16	the	the	DET
admet-729	235	17	presence	presence	NOUN
admet-729	235	18	or	or	CCONJ
admet-729	235	19	the	the	DET
admet-729	235	20	absence	absence	NOUN
admet-729	235	21	of	of	ADP
admet-729	235	22	bound	bind	VERB
admet-729	235	23	substrates	substrate	NOUN
admet-729	235	24	.	.	PUNCT
admet-729	236	1	indeed	indeed	ADV
admet-729	236	2	,	,	PUNCT
admet-729	236	3	our	our	PRON
admet-729	236	4	pairwise	pairwise	NOUN
admet-729	236	5	study	study	NOUN
admet-729	236	6	design	design	NOUN
admet-729	236	7	unraveled	unravel	VERB
admet-729	236	8	that	that	DET
admet-729	236	9	substrate	substrate	NOUN
admet-729	236	10	alone	alone	ADV
admet-729	236	11	does	do	AUX
admet-729	236	12	provide	provide	VERB
admet-729	236	13	an	an	DET
admet-729	236	14	effect	effect	NOUN
admet-729	236	15	on	on	ADP
admet-729	236	16	the	the	DET
admet-729	236	17	geometric	geometric	ADJ
admet-729	236	18	changes	change	NOUN
admet-729	236	19	of	of	ADP
admet-729	236	20	the	the	DET
admet-729	236	21	enzyme	enzyme	NOUN
admet-729	236	22	and	and	CCONJ
admet-729	236	23	that	that	SCONJ
admet-729	236	24	they	they	PRON
admet-729	236	25	can	can	AUX
admet-729	236	26	be	be	AUX
admet-729	236	27	observed	observe	VERB
admet-729	236	28	and	and	CCONJ
admet-729	236	29	measured	measure	VERB
admet-729	236	30	in	in	ADP
admet-729	236	31	molecular	molecular	ADJ
admet-729	236	32	dynamics	dynamic	NOUN
admet-729	236	33	studies	study	NOUN
admet-729	236	34	.	.	PUNCT
admet-729	237	1	the	the	DET
admet-729	237	2	computed	computed	ADJ
admet-729	237	3	trajectories	trajectory	NOUN
admet-729	237	4	were	be	AUX
admet-729	237	5	parameterized	parameterized	ADJ
admet-729	237	6	as	as	ADP
admet-729	237	7	rmsd	rmsd	NOUN
admet-729	237	8	reflecting	reflect	VERB
admet-729	237	9	spatial	spatial	ADJ
admet-729	237	10	rearrangements	rearrangement	NOUN
admet-729	237	11	of	of	ADP
admet-729	237	12	the	the	DET
admet-729	237	13	start	start	NOUN
admet-729	237	14	geometries	geometry	NOUN
admet-729	237	15	which	which	PRON
admet-729	237	16	were	be	AUX
admet-729	237	17	taken	take	VERB
admet-729	237	18	from	from	ADP
admet-729	237	19	crystal	crystal	NOUN
admet-729	237	20	structures	structure	NOUN
admet-729	237	21	of	of	ADP
admet-729	237	22	substrate	substrate	NOUN
admet-729	237	23	-	-	PUNCT
admet-729	237	24	bound	bind	VERB
admet-729	237	25	and	and	CCONJ
admet-729	237	26	unbound	unbound	NOUN
admet-729	237	27	states	state	NOUN
admet-729	237	28	of	of	ADP
admet-729	237	29	identical	identical	ADJ
admet-729	237	30	proteins	protein	NOUN
admet-729	237	31	.	.	PUNCT
admet-729	238	1	to	to	ADP
admet-729	238	2	this	this	DET
admet-729	238	3	end	end	NOUN
admet-729	238	4	,	,	PUNCT
admet-729	238	5	crystal	crystal	NOUN
admet-729	238	6	structures	structure	NOUN
admet-729	238	7	of	of	ADP
admet-729	238	8	known	know	VERB
admet-729	238	9	liganded	ligande	VERB
admet-729	238	10	/	/	SYM
admet-729	238	11	unliganded	unligande	VERB
admet-729	238	12	pairs	pair	NOUN
admet-729	238	13	had	have	AUX
admet-729	238	14	been	be	AUX
admet-729	238	15	gathered	gather	VERB
admet-729	238	16	prior	prior	ADV
admet-729	238	17	to	to	ADP
admet-729	238	18	simulation	simulation	NOUN
admet-729	238	19	.	.	PUNCT
admet-729	239	1	precisely	precisely	ADV
admet-729	239	2	,	,	PUNCT
admet-729	239	3	comparing	compare	VERB
admet-729	239	4	averaged	average	VERB
admet-729	239	5	rmsd	rmsd	NOUN
admet-729	239	6	data	datum	NOUN
admet-729	239	7	(	(	PUNCT
admet-729	239	8	originally	originally	ADV
admet-729	239	9	liganded	ligande	VERB
admet-729	239	10	3nxu	3nxu	NOUN
admet-729	239	11	:	:	PUNCT
admet-729	239	12	0.9	0.9	NUM
admet-729	239	13	<	<	X
admet-729	239	14	liganded	ligande	VERB
admet-729	239	15	1tqn	1tqn	NUM
admet-729	239	16	<	<	X
admet-729	239	17	unliganded	unligande	VERB
admet-729	239	18	3nxu	3nxu	NOUN
admet-729	239	19	:	:	PUNCT
admet-729	239	20	1.55	1.55	NUM
admet-729	239	21	<	<	X
admet-729	239	22	originally	originally	ADV
admet-729	239	23	unliganded	unligande	VERB
admet-729	239	24	1tqn	1tqn	NUM
admet-729	239	25	:	:	PUNCT
admet-729	239	26	1.9	1.9	NUM
admet-729	239	27	)	)	PUNCT
admet-729	239	28	lent	lend	VERB
admet-729	239	29	insight	insight	NOUN
admet-729	239	30	into	into	ADP
admet-729	239	31	hidden	hidden	ADJ
admet-729	239	32	driven	drive	VERB
admet-729	239	33	forces	force	NOUN
admet-729	239	34	leading	lead	VERB
admet-729	239	35	to	to	ADP
admet-729	239	36	geometrical	geometrical	ADJ
admet-729	239	37	changes	change	NOUN
admet-729	239	38	for	for	ADP
admet-729	239	39	substrate	substrate	NOUN
admet-729	239	40	recognition	recognition	NOUN
admet-729	239	41	of	of	ADP
admet-729	239	42	human	human	ADJ
admet-729	239	43	cyp3a4	cyp3a4	NOUN
admet-729	239	44	proteins	protein	NOUN
admet-729	239	45	.	.	PUNCT
admet-729	240	1	for	for	ADP
admet-729	240	2	a	a	DET
admet-729	240	3	worst	bad	ADJ
admet-729	240	4	-	-	PUNCT
admet-729	240	5	case	case	NOUN
admet-729	240	6	scenario	scenario	NOUN
admet-729	240	7	,	,	PUNCT
admet-729	240	8	we	we	PRON
admet-729	240	9	would	would	AUX
admet-729	240	10	state	state	VERB
admet-729	240	11	that	that	SCONJ
admet-729	240	12	both	both	DET
admet-729	240	13	unliganded	unligande	VERB
admet-729	240	14	models	model	NOUN
admet-729	240	15	did	do	AUX
admet-729	240	16	not	not	PART
admet-729	240	17	follow	follow	VERB
admet-729	240	18	a	a	DET
admet-729	240	19	trajectory	trajectory	NOUN
admet-729	240	20	with	with	ADP
admet-729	240	21	f	f	PROPN
admet-729	240	22	-	-	PUNCT
admet-729	240	23	g	g	PROPN
admet-729	240	24	loop	loop	NOUN
admet-729	240	25	rearrangements	rearrangement	NOUN
admet-729	240	26	to	to	PART
admet-729	240	27	merge	merge	VERB
admet-729	240	28	into	into	ADP
admet-729	240	29	the	the	DET
admet-729	240	30	observed	observe	VERB
admet-729	240	31	structure	structure	NOUN
admet-729	240	32	of	of	ADP
admet-729	240	33	the	the	DET
admet-729	240	34	originally	originally	ADV
admet-729	240	35	unliganded	unligande	VERB
admet-729	240	36	protein	protein	NOUN
admet-729	240	37	(	(	PUNCT
admet-729	240	38	1tqn	1tqn	NUM
admet-729	240	39	)	)	PUNCT
admet-729	240	40	.	.	PUNCT
admet-729	241	1	this	this	DET
admet-729	241	2	finding	finding	NOUN
admet-729	241	3	,	,	PUNCT
admet-729	241	4	however	however	ADV
admet-729	241	5	,	,	PUNCT
admet-729	241	6	attests	attest	VERB
admet-729	241	7	to	to	ADP
admet-729	241	8	the	the	DET
admet-729	241	9	wellknown	wellknown	ADJ
admet-729	241	10	conformational	conformational	ADJ
admet-729	241	11	flexibility	flexibility	NOUN
admet-729	241	12	of	of	ADP
admet-729	241	13	the	the	DET
admet-729	241	14	cyp	cyp	ADJ
admet-729	241	15	family	family	NOUN
admet-729	241	16	in	in	ADP
admet-729	241	17	general	general	ADJ
admet-729	241	18	,	,	PUNCT
admet-729	241	19	reflecting	reflect	VERB
admet-729	241	20	the	the	DET
admet-729	241	21	need	need	NOUN
admet-729	241	22	for	for	ADP
admet-729	241	23	flexibility	flexibility	NOUN
admet-729	241	24	for	for	ADP
admet-729	241	25	successful	successful	ADJ
admet-729	241	26	ligand	ligand	NOUN
admet-729	241	27	binding	binding	NOUN
admet-729	241	28	.	.	PUNCT
admet-729	242	1	hence	hence	ADV
admet-729	242	2	,	,	PUNCT
admet-729	242	3	the	the	PRON
admet-729	242	4	not	not	PART
admet-729	242	5	merging	merge	VERB
admet-729	242	6	trajectories	trajectory	NOUN
admet-729	242	7	into	into	ADP
admet-729	242	8	crystal	crystal	NOUN
admet-729	242	9	geometries	geometry	NOUN
admet-729	242	10	simulate	simulate	VERB
admet-729	242	11	a	a	DET
admet-729	242	12	natural	natural	ADJ
admet-729	242	13	(	(	PUNCT
admet-729	242	14	intrinsic	intrinsic	ADJ
admet-729	242	15	)	)	PUNCT
admet-729	242	16	behavior	behavior	NOUN
admet-729	242	17	here	here	ADV
admet-729	242	18	.	.	PUNCT
admet-729	243	1	conversely	conversely	ADV
admet-729	243	2	,	,	PUNCT
admet-729	243	3	ligand	ligand	NOUN
admet-729	243	4	binding	bind	VERB
admet-729	243	5	fairly	fairly	ADV
admet-729	243	6	reduced	reduce	VERB
admet-729	243	7	the	the	DET
admet-729	243	8	flexibility	flexibility	NOUN
admet-729	243	9	of	of	ADP
admet-729	243	10	the	the	DET
admet-729	243	11	complex	complex	NOUN
admet-729	243	12	.	.	PUNCT
admet-729	244	1	in	in	ADP
admet-729	244	2	a	a	DET
admet-729	244	3	natural	natural	ADJ
admet-729	244	4	situation	situation	NOUN
admet-729	244	5	the	the	DET
admet-729	244	6	active	active	ADJ
admet-729	244	7	site	site	NOUN
admet-729	244	8	has	have	AUX
admet-729	244	9	evolved	evolve	VERB
admet-729	244	10	to	to	PART
admet-729	244	11	strengthen	strengthen	VERB
admet-729	244	12	the	the	DET
admet-729	244	13	substrate	substrate	NOUN
admet-729	244	14	attachment	attachment	NOUN
admet-729	244	15	until	until	SCONJ
admet-729	244	16	its	its	PRON
admet-729	244	17	biotransformation	biotransformation	NOUN
admet-729	244	18	quiroga	quiroga	NOUN
admet-729	244	19	and	and	CCONJ
admet-729	244	20	scior	scior	PROPN
admet-729	244	21	admet	admet	PROPN
admet-729	244	22	&	&	CCONJ
admet-729	244	23	dmpk	dmpk	PROPN
admet-729	244	24	7(4	7(4	NUM
admet-729	244	25	)	)	PUNCT
admet-729	244	26	(	(	PUNCT
admet-729	244	27	2019	2019	NUM
admet-729	244	28	)	)	PUNCT
admet-729	244	29	252	252	NUM
admet-729	244	30	-	-	SYM
admet-729	244	31	266	266	NUM
admet-729	244	32	264	264	NUM
admet-729	244	33	took	take	VERB
admet-729	244	34	place	place	NOUN
admet-729	244	35	(	(	PUNCT
admet-729	244	36	oxidation	oxidation	NOUN
admet-729	244	37	,	,	PUNCT
admet-729	244	38	hydroxylation	hydroxylation	NOUN
admet-729	244	39	)	)	PUNCT
admet-729	244	40	.	.	PUNCT
admet-729	245	1	interpreting	interpret	VERB
admet-729	245	2	in	in	ADP
admet-729	245	3	this	this	DET
admet-729	245	4	way	way	NOUN
admet-729	245	5	our	our	PRON
admet-729	245	6	results	result	NOUN
admet-729	245	7	,	,	PUNCT
admet-729	245	8	the	the	DET
admet-729	245	9	simulations	simulation	NOUN
admet-729	245	10	come	come	VERB
admet-729	245	11	close	close	ADJ
admet-729	245	12	–	–	PUNCT
admet-729	245	13	if	if	SCONJ
admet-729	245	14	not	not	PART
admet-729	245	15	–	–	PUNCT
admet-729	245	16	reflect	reflect	VERB
admet-729	245	17	properly	properly	ADV
admet-729	245	18	natural	natural	ADJ
admet-729	245	19	behavior	behavior	NOUN
admet-729	245	20	,	,	PUNCT
admet-729	245	21	all	all	PRON
admet-729	245	22	of	of	ADP
admet-729	245	23	which	which	PRON
admet-729	245	24	is	be	AUX
admet-729	245	25	our	our	PRON
admet-729	245	26	best	good	ADJ
admet-729	245	27	-	-	PUNCT
admet-729	245	28	case	case	NOUN
admet-729	245	29	scenario	scenario	NOUN
admet-729	245	30	where	where	SCONJ
admet-729	245	31	md	md	PROPN
admet-729	245	32	is	be	AUX
admet-729	245	33	capable	capable	ADJ
admet-729	245	34	of	of	ADP
admet-729	245	35	reproducing	reproduce	VERB
admet-729	245	36	induced	induce	VERB
admet-729	245	37	fit	fit	NOUN
admet-729	245	38	of	of	ADP
admet-729	245	39	cyps	cyps	PROPN
admet-729	245	40	.	.	PUNCT
admet-729	246	1	all	all	PRON
admet-729	246	2	told	tell	VERB
admet-729	246	3	,	,	PUNCT
admet-729	246	4	it	it	PRON
admet-729	246	5	seems	seem	VERB
admet-729	246	6	not	not	PART
admet-729	246	7	far	far	ADV
admet-729	246	8	-	-	PUNCT
admet-729	246	9	fetched	fetched	ADJ
admet-729	246	10	to	to	PART
admet-729	246	11	assume	assume	VERB
admet-729	246	12	that	that	SCONJ
admet-729	246	13	averaged	average	VERB
admet-729	246	14	rmsd	rmsd	NOUN
admet-729	246	15	captures	capture	NOUN
admet-729	246	16	the	the	DET
admet-729	246	17	essence	essence	NOUN
admet-729	246	18	of	of	ADP
admet-729	246	19	conformational	conformational	ADJ
admet-729	246	20	changes	change	NOUN
admet-729	246	21	of	of	ADP
admet-729	246	22	induced	induced	ADJ
admet-729	246	23	fit	fit	NOUN
admet-729	246	24	.	.	PUNCT
admet-729	247	1	md	md	PROPN
admet-729	247	2	estimates	estimate	VERB
admet-729	247	3	the	the	DET
admet-729	247	4	necessary	necessary	ADJ
admet-729	247	5	changes	change	NOUN
admet-729	247	6	for	for	ADP
admet-729	247	7	substrate	substrate	NOUN
admet-729	247	8	recognition	recognition	NOUN
admet-729	247	9	and	and	CCONJ
admet-729	247	10	regioselectivity	regioselectivity	NOUN
admet-729	247	11	.	.	PUNCT
admet-729	248	1	the	the	DET
admet-729	248	2	results	result	NOUN
admet-729	248	3	on	on	ADP
admet-729	248	4	theoretical	theoretical	ADJ
admet-729	248	5	grounds	ground	NOUN
admet-729	248	6	further	far	ADV
admet-729	248	7	the	the	DET
admet-729	248	8	awareness	awareness	NOUN
admet-729	248	9	for	for	ADP
admet-729	248	10	induced	induce	VERB
admet-729	248	11	fit	fit	ADJ
admet-729	248	12	mechanisms	mechanism	NOUN
admet-729	248	13	upon	upon	SCONJ
admet-729	248	14	ligand	ligand	ADJ
admet-729	248	15	binding	binding	NOUN
admet-729	248	16	.	.	PUNCT
admet-729	249	1	our	our	PRON
admet-729	249	2	work	work	NOUN
admet-729	249	3	contributes	contribute	VERB
admet-729	249	4	to	to	PART
admet-729	249	5	describe	describe	VERB
admet-729	249	6	induced	induce	VERB
admet-729	249	7	fit	fit	NOUN
admet-729	249	8	which	which	PRON
admet-729	249	9	has	have	AUX
admet-729	249	10	been	be	AUX
admet-729	249	11	frequently	frequently	ADV
admet-729	249	12	cited	cite	VERB
admet-729	249	13	in	in	ADP
admet-729	249	14	the	the	DET
admet-729	249	15	extant	extant	ADJ
admet-729	249	16	literature	literature	NOUN
admet-729	249	17	body	body	NOUN
admet-729	249	18	but	but	CCONJ
admet-729	249	19	poorly	poorly	ADV
admet-729	249	20	described	describe	VERB
admet-729	249	21	at	at	ADP
admet-729	249	22	an	an	DET
admet-729	249	23	atomic	atomic	ADJ
admet-729	249	24	scale	scale	NOUN
admet-729	249	25	.	.	PUNCT
admet-729	250	1	authors	author	NOUN
admet-729	250	2	’	'	PUNCT
admet-729	250	3	contributions	contribution	NOUN
admet-729	250	4	:	:	PUNCT
admet-729	250	5	md	md	PROPN
admet-729	250	6	was	be	AUX
admet-729	250	7	carried	carry	VERB
admet-729	250	8	out	out	ADP
admet-729	250	9	by	by	ADP
admet-729	250	10	iq	iq	NOUN
admet-729	250	11	.	.	PUNCT
admet-729	251	1	the	the	DET
admet-729	251	2	manuscript	manuscript	NOUN
admet-729	251	3	was	be	AUX
admet-729	251	4	written	write	VERB
admet-729	251	5	through	through	ADP
admet-729	251	6	contributions	contribution	NOUN
admet-729	251	7	of	of	ADP
admet-729	251	8	both	both	DET
admet-729	251	9	authors	author	NOUN
admet-729	251	10	.	.	PUNCT
admet-729	252	1	all	all	DET
admet-729	252	2	authors	author	NOUN
admet-729	252	3	have	have	AUX
admet-729	252	4	given	give	VERB
admet-729	252	5	approval	approval	NOUN
admet-729	252	6	to	to	ADP
admet-729	252	7	the	the	DET
admet-729	252	8	final	final	ADJ
admet-729	252	9	version	version	NOUN
admet-729	252	10	of	of	ADP
admet-729	252	11	the	the	DET
admet-729	252	12	manuscript	manuscript	NOUN
admet-729	252	13	.	.	PUNCT
admet-729	253	1	acknowledgements	acknowledgement	NOUN
admet-729	253	2	:	:	PUNCT
admet-729	253	3	the	the	DET
admet-729	253	4	authors	author	NOUN
admet-729	253	5	would	would	AUX
admet-729	253	6	like	like	VERB
admet-729	253	7	to	to	PART
admet-729	253	8	thank	thank	VERB
admet-729	253	9	the	the	DET
admet-729	253	10	financial	financial	ADJ
admet-729	253	11	support	support	NOUN
admet-729	253	12	of	of	ADP
admet-729	253	13	consejo	consejo	PROPN
admet-729	253	14	nacional	nacional	PROPN
admet-729	253	15	de	de	X
admet-729	253	16	ciencia	ciencia	PROPN
admet-729	253	17	y	y	PROPN
admet-729	253	18	tecnologia	tecnologia	PROPN
admet-729	253	19	(	(	PUNCT
admet-729	253	20	conacyt	conacyt	NOUN
admet-729	253	21	)	)	PUNCT
admet-729	253	22	for	for	ADP
admet-729	253	23	providing	provide	VERB
admet-729	253	24	iqm	iqm	PROPN
admet-729	253	25	’s	’s	PART
admet-729	253	26	doctoral	doctoral	ADJ
admet-729	253	27	scholarship	scholarship	NOUN
admet-729	253	28	.	.	PUNCT
admet-729	254	1	conflict	conflict	NOUN
admet-729	254	2	of	of	ADP
admet-729	254	3	interest	interest	NOUN
admet-729	254	4	:	:	PUNCT
admet-729	254	5	none	none	NOUN
admet-729	254	6	.	.	PUNCT
admet-729	255	1	references	reference	NOUN
admet-729	255	2	[	[	X
admet-729	255	3	1	1	X
admet-729	255	4	]	]	X
admet-729	255	5	t.e	t.e	PROPN
admet-729	255	6	.	.	PROPN
admet-729	255	7	goud	goud	PROPN
admet-729	255	8	,	,	PUNCT
admet-729	255	9	s.	s.	PROPN
admet-729	255	10	maddi	maddi	PROPN
admet-729	255	11	,	,	PUNCT
admet-729	255	12	n.	n.	NOUN
admet-729	255	13	devanna	devanna	NOUN
admet-729	255	14	,	,	PUNCT
admet-729	255	15	t.r	t.r	PROPN
admet-729	255	16	.	.	PROPN
admet-729	255	17	prasad	prasad	PROPN
admet-729	255	18	.	.	PUNCT
admet-729	256	1	evaluation	evaluation	NOUN
admet-729	256	2	of	of	ADP
admet-729	256	3	pharmacokinetic	pharmacokinetic	ADJ
admet-729	256	4	and	and	CCONJ
admet-729	256	5	pharmacodynamic	pharmacodynamic	ADJ
admet-729	256	6	interaction	interaction	NOUN
admet-729	256	7	between	between	ADP
admet-729	256	8	repaglinide	repaglinide	NOUN
admet-729	256	9	and	and	CCONJ
admet-729	256	10	atazanavir	atazanavir	PROPN
admet-729	256	11	in	in	ADP
admet-729	256	12	healthy	healthy	ADJ
admet-729	256	13	,	,	PUNCT
admet-729	256	14	diabetic	diabetic	ADJ
admet-729	256	15	and	and	CCONJ
admet-729	256	16	hepatic	hepatic	ADJ
admet-729	256	17	impaired	impaired	ADJ
admet-729	256	18	rats	rat	NOUN
admet-729	256	19	:	:	PUNCT
admet-729	256	20	possible	possible	ADJ
admet-729	256	21	inhibition	inhibition	NOUN
admet-729	256	22	of	of	ADP
admet-729	256	23	cyp3a	cyp3a	NOUN
admet-729	256	24	,	,	PUNCT
admet-729	256	25	oatp	oatp	ADJ
admet-729	256	26	,	,	PUNCT
admet-729	256	27	and	and	CCONJ
admet-729	256	28	p	p	ADJ
admet-729	256	29	-	-	PUNCT
admet-729	256	30	glycoprotein	glycoprotein	NOUN
admet-729	256	31	transporters	transporter	NOUN
admet-729	256	32	.	.	PUNCT
admet-729	257	1	admet	admet	PROPN
admet-729	257	2	&	&	CCONJ
admet-729	257	3	dmpk	dmpk	PROPN
admet-729	257	4	4	4	NUM
admet-729	257	5	(	(	PUNCT
admet-729	257	6	2016	2016	NUM
admet-729	257	7	)	)	PUNCT
admet-729	257	8	269279	269279	NUM
admet-729	257	9	.	.	PUNCT
admet-729	258	1	[	[	X
admet-729	258	2	2	2	NUM
admet-729	258	3	]	]	X
admet-729	258	4	d.a	d.a	PROPN
admet-729	258	5	.	.	PROPN
admet-729	258	6	ramirez	ramirez	PROPN
admet-729	258	7	,	,	PUNCT
admet-729	258	8	e.	e.	PROPN
admet-729	258	9	marchevsky	marchevsky	PROPN
admet-729	258	10	,	,	PUNCT
admet-729	258	11	j.m	j.m	PROPN
admet-729	258	12	.	.	PROPN
admet-729	258	13	luco	luco	PROPN
admet-729	258	14	,	,	PUNCT
admet-729	258	15	a.	a.	NOUN
admet-729	258	16	camargo	camargo	PROPN
admet-729	258	17	.	.	PUNCT
admet-729	259	1	quantitative	quantitative	ADJ
admet-729	259	2	structure	structure	NOUN
admet-729	259	3	-	-	PUNCT
admet-729	259	4	activity	activity	NOUN
admet-729	259	5	relationship	relationship	NOUN
admet-729	259	6	to	to	PART
admet-729	259	7	elucidate	elucidate	VERB
admet-729	259	8	human	human	ADJ
admet-729	259	9	cyp2a6	cyp2a6	NOUN
admet-729	259	10	inhibition	inhibition	NOUN
admet-729	259	11	by	by	ADP
admet-729	259	12	organosulfur	organosulfur	NOUN
admet-729	259	13	compounds	compound	NOUN
admet-729	259	14	.	.	PUNCT
admet-729	260	1	admet	admet	PROPN
admet-729	260	2	&	&	CCONJ
admet-729	260	3	dmpk	dmpk	PROPN
admet-729	260	4	7	7	NUM
admet-729	260	5	(	(	PUNCT
admet-729	260	6	2019	2019	NUM
admet-729	260	7	)	)	PUNCT
admet-729	260	8	196	196	NUM
admet-729	260	9	-	-	SYM
admet-729	260	10	209	209	NUM
admet-729	260	11	.	.	PUNCT
admet-729	261	1	[	[	X
admet-729	261	2	3	3	X
admet-729	261	3	]	]	X
admet-729	261	4	f.j	f.j	PROPN
admet-729	261	5	.	.	PROPN
admet-729	261	6	gonzalez	gonzalez	PROPN
admet-729	261	7	,	,	PUNCT
admet-729	261	8	r.h	r.h	PROPN
admet-729	261	9	.	.	PROPN
admet-729	261	10	tukey	tukey	PROPN
admet-729	261	11	.	.	PUNCT
admet-729	262	1	the	the	DET
admet-729	262	2	pharmacological	pharmacological	ADJ
admet-729	262	3	basis	basis	NOUN
admet-729	262	4	of	of	ADP
admet-729	262	5	therapeutics	therapeutic	NOUN
admet-729	262	6	,	,	PUNCT
admet-729	262	7	mcgraw	mcgraw	PROPN
admet-729	262	8	-	-	PUNCT
admet-729	262	9	hill	hill	PROPN
admet-729	262	10	,	,	PUNCT
admet-729	262	11	new	new	PROPN
admet-729	262	12	york	york	PROPN
admet-729	262	13	,	,	PUNCT
admet-729	262	14	2011	2011	NUM
admet-729	262	15	,	,	PUNCT
admet-729	262	16	p.	p.	NOUN
admet-729	262	17	71	71	NUM
admet-729	262	18	-	-	SYM
admet-729	262	19	91	91	NUM
admet-729	262	20	.	.	PUNCT
admet-729	263	1	[	[	X
admet-729	263	2	4	4	X
admet-729	263	3	]	]	X
admet-729	263	4	l.	l.	PROPN
admet-729	263	5	perić	perić	PROPN
admet-729	263	6	-	-	PUNCT
admet-729	263	7	hassler	hassler	PROPN
admet-729	263	8	,	,	PUNCT
admet-729	263	9	e.	e.	PROPN
admet-729	263	10	stjernschantz	stjernschantz	PROPN
admet-729	263	11	,	,	PUNCT
admet-729	263	12	c.	c.	PROPN
admet-729	263	13	oostenbrink	oostenbrink	NOUN
admet-729	263	14	,	,	PUNCT
admet-729	263	15	d.p	d.p	PROPN
admet-729	263	16	.	.	PROPN
admet-729	263	17	geerke	geerke	PROPN
admet-729	263	18	.	.	PUNCT
admet-729	264	1	cyp	cyp	ADJ
admet-729	264	2	2d6	2d6	NUM
admet-729	264	3	binding	bind	VERB
admet-729	264	4	affinity	affinity	NOUN
admet-729	264	5	predictions	prediction	NOUN
admet-729	264	6	using	use	VERB
admet-729	264	7	multiple	multiple	ADJ
admet-729	264	8	ligand	ligand	ADJ
admet-729	264	9	and	and	CCONJ
admet-729	264	10	protein	protein	NOUN
admet-729	264	11	conformations	conformation	NOUN
admet-729	264	12	.	.	PUNCT
admet-729	265	1	int	int	NOUN
admet-729	265	2	.	.	PUNCT
admet-729	266	1	j.	j.	PROPN
admet-729	266	2	mol	mol	PROPN
admet-729	266	3	.	.	PUNCT
admet-729	267	1	sci	sci	PROPN
admet-729	267	2	.	.	PROPN
admet-729	268	1	14	14	NUM
admet-729	268	2	(	(	PUNCT
admet-729	268	3	2013	2013	NUM
admet-729	268	4	)	)	PUNCT
admet-729	268	5	24514	24514	NUM
admet-729	268	6	-	-	SYM
admet-729	268	7	24530	24530	NUM
admet-729	268	8	.	.	PUNCT
admet-729	269	1	[	[	X
admet-729	269	2	5	5	NUM
admet-729	269	3	]	]	PUNCT
admet-729	269	4	a.	a.	NOUN
admet-729	269	5	seifert	seifert	PROPN
admet-729	269	6	,	,	PUNCT
admet-729	269	7	j.	j.	PROPN
admet-729	269	8	pleiss	pleiss	PROPN
admet-729	269	9	.	.	PUNCT
admet-729	270	1	identification	identification	NOUN
admet-729	270	2	of	of	ADP
admet-729	270	3	selectivity‐determining	selectivity‐determine	VERB
admet-729	270	4	residues	residue	NOUN
admet-729	270	5	in	in	ADP
admet-729	270	6	cytochrome	cytochrome	ADJ
admet-729	270	7	p450	p450	PROPN
admet-729	270	8	monooxygenases	monooxygenase	NOUN
admet-729	270	9	:	:	PUNCT
admet-729	270	10	a	a	DET
admet-729	270	11	systematic	systematic	ADJ
admet-729	270	12	analysis	analysis	NOUN
admet-729	270	13	of	of	ADP
admet-729	270	14	the	the	DET
admet-729	270	15	substrate	substrate	NOUN
admet-729	270	16	recognition	recognition	NOUN
admet-729	270	17	site	site	NOUN
admet-729	270	18	5	5	NUM
admet-729	270	19	.	.	PUNCT
admet-729	270	20	proteins	protein	NOUN
admet-729	270	21	:	:	PUNCT
admet-729	270	22	struct	struct	NOUN
admet-729	270	23	.	.	PUNCT
admet-729	271	1	funct	funct	PROPN
admet-729	271	2	.	.	PUNCT
admet-729	272	1	bioinf	bioinf	PROPN
admet-729	272	2	.	.	PUNCT
admet-729	273	1	74	74	NUM
admet-729	273	2	(	(	PUNCT
admet-729	273	3	2009	2009	NUM
admet-729	273	4	)	)	PUNCT
admet-729	273	5	1028	1028	NUM
admet-729	273	6	-	-	SYM
admet-729	273	7	1035	1035	NUM
admet-729	273	8	.	.	PUNCT
admet-729	274	1	[	[	X
admet-729	274	2	6	6	NUM
admet-729	274	3	]	]	PUNCT
admet-729	274	4	a.	a.	NOUN
admet-729	274	5	seifert	seifert	PROPN
admet-729	274	6	,	,	PUNCT
admet-729	274	7	s.	s.	PROPN
admet-729	274	8	tatzel	tatzel	PROPN
admet-729	274	9	,	,	PUNCT
admet-729	274	10	r.d	r.d	PROPN
admet-729	274	11	.	.	PROPN
admet-729	274	12	schmid	schmid	PROPN
admet-729	274	13	,	,	PUNCT
admet-729	274	14	j.	j.	PROPN
admet-729	274	15	pleiss	pleiss	PROPN
admet-729	274	16	.	.	PUNCT
admet-729	275	1	multiple	multiple	ADJ
admet-729	275	2	molecular	molecular	ADJ
admet-729	275	3	dynamics	dynamic	NOUN
admet-729	275	4	simulations	simulation	NOUN
admet-729	275	5	of	of	ADP
admet-729	275	6	human	human	ADJ
admet-729	275	7	p450	p450	PROPN
admet-729	275	8	monooxygenase	monooxygenase	NOUN
admet-729	275	9	cyp2c9	cyp2c9	NOUN
admet-729	275	10	:	:	PUNCT
admet-729	275	11	the	the	DET
admet-729	275	12	molecular	molecular	ADJ
admet-729	275	13	basis	basis	NOUN
admet-729	275	14	of	of	ADP
admet-729	275	15	substrate	substrate	NOUN
admet-729	275	16	binding	binding	NOUN
admet-729	275	17	and	and	CCONJ
admet-729	275	18	regioselectivity	regioselectivity	NOUN
admet-729	275	19	toward	toward	ADP
admet-729	275	20	warfarin	warfarin	NOUN
admet-729	275	21	.	.	PUNCT
admet-729	276	1	proteins	protein	NOUN
admet-729	276	2	:	:	PUNCT
admet-729	276	3	struct	struct	NOUN
admet-729	276	4	.	.	PUNCT
admet-729	277	1	funct	funct	PROPN
admet-729	277	2	.	.	PUNCT
admet-729	278	1	bioinf	bioinf	PROPN
admet-729	278	2	.	.	PUNCT
admet-729	279	1	64	64	NUM
admet-729	279	2	(	(	PUNCT
admet-729	279	3	2006	2006	NUM
admet-729	279	4	)	)	PUNCT
admet-729	279	5	147	147	NUM
admet-729	279	6	-	-	SYM
admet-729	279	7	155	155	NUM
admet-729	279	8	.	.	PUNCT
admet-729	280	1	[	[	X
admet-729	280	2	7	7	X
admet-729	280	3	]	]	X
admet-729	280	4	c.	c.	NOUN
admet-729	280	5	sotriffer	sotriffer	PROPN
admet-729	280	6	.	.	PUNCT
admet-729	281	1	accounting	account	VERB
admet-729	281	2	for	for	ADP
admet-729	281	3	induced	induced	ADJ
admet-729	281	4	-	-	PUNCT
admet-729	281	5	fit	fit	NOUN
admet-729	281	6	effects	effect	NOUN
admet-729	281	7	in	in	ADP
admet-729	281	8	docking	docking	NOUN
admet-729	281	9	:	:	PUNCT
admet-729	281	10	what	what	PRON
admet-729	281	11	is	be	AUX
admet-729	281	12	possible	possible	ADJ
admet-729	281	13	and	and	CCONJ
admet-729	281	14	what	what	PRON
admet-729	281	15	is	be	AUX
admet-729	281	16	not	not	PART
admet-729	281	17	?	?	PUNCT
admet-729	281	18	.	.	PUNCT
admet-729	282	1	curr	curr	PROPN
admet-729	282	2	.	.	PUNCT
admet-729	282	3	top	top	PROPN
admet-729	282	4	.	.	PUNCT
admet-729	283	1	med	med	PROPN
admet-729	283	2	.	.	PROPN
admet-729	283	3	chem	chem	PROPN
admet-729	283	4	.	.	PUNCT
admet-729	284	1	11	11	NUM
admet-729	284	2	(	(	PUNCT
admet-729	284	3	2011	2011	NUM
admet-729	284	4	)	)	PUNCT
admet-729	284	5	179	179	NUM
admet-729	284	6	-	-	SYM
admet-729	284	7	191	191	NUM
admet-729	284	8	.	.	PUNCT
admet-729	285	1	[	[	X
admet-729	285	2	8	8	NUM
admet-729	285	3	]	]	PUNCT
admet-729	285	4	x.	x.	NOUN
admet-729	285	5	yu	yu	PROPN
admet-729	285	6	,	,	PUNCT
admet-729	285	7	v.	v.	ADP
admet-729	285	8	cojocaru	cojocaru	PROPN
admet-729	285	9	,	,	PUNCT
admet-729	285	10	r.c	r.c	PROPN
admet-729	285	11	.	.	PROPN
admet-729	285	12	wade	wade	PROPN
admet-729	285	13	.	.	PUNCT
admet-729	286	1	conformational	conformational	ADJ
admet-729	286	2	diversity	diversity	NOUN
admet-729	286	3	and	and	CCONJ
admet-729	286	4	ligand	ligand	NOUN
admet-729	286	5	tunnels	tunnel	NOUN
admet-729	286	6	of	of	ADP
admet-729	286	7	mammalian	mammalian	ADJ
admet-729	286	8	cytochrome	cytochrome	PROPN
admet-729	286	9	p450s	p450s	PROPN
admet-729	286	10	.	.	PUNCT
admet-729	287	1	biotechnol	biotechnol	PROPN
admet-729	287	2	.	.	PUNCT
admet-729	288	1	appl	appl	PROPN
admet-729	288	2	.	.	PUNCT
admet-729	289	1	biochem	biochem	PROPN
admet-729	289	2	.	.	PUNCT
admet-729	290	1	60	60	NUM
admet-729	290	2	(	(	PUNCT
admet-729	290	3	2013	2013	NUM
admet-729	290	4	)	)	PUNCT
admet-729	290	5	134	134	NUM
admet-729	290	6	-	-	SYM
admet-729	290	7	145	145	NUM
admet-729	290	8	.	.	PUNCT
admet-729	291	1	[	[	X
admet-729	291	2	9	9	NUM
admet-729	291	3	]	]	PUNCT
admet-729	291	4	t.	t.	NOUN
admet-729	291	5	scior	scior	PROPN
admet-729	291	6	,	,	PUNCT
admet-729	291	7	i.	i.	PROPN
admet-729	291	8	quiroga	quiroga	PROPN
admet-729	291	9	,	,	PUNCT
admet-729	291	10	b.	b.	PROPN
admet-729	291	11	kammerer	kammerer	PROPN
admet-729	291	12	.	.	PUNCT
admet-729	292	1	inquiry	inquiry	NOUN
admet-729	292	2	of	of	ADP
admet-729	292	3	literature	literature	NOUN
admet-729	292	4	evidence	evidence	NOUN
admet-729	292	5	for	for	ADP
admet-729	292	6	induced	induced	ADJ
admet-729	292	7	fit	fit	NOUN
admet-729	292	8	and	and	CCONJ
admet-729	292	9	regioselectivity	regioselectivity	NOUN
admet-729	292	10	of	of	ADP
admet-729	292	11	cytochrome	cytochrome	ADJ
admet-729	292	12	p450	p450	PROPN
admet-729	292	13	enzyme	enzyme	NOUN
admet-729	292	14	cyp2c9	cyp2c9	NOUN
admet-729	292	15	:	:	PUNCT
admet-729	292	16	a	a	DET
admet-729	292	17	critical	critical	ADJ
admet-729	292	18	review	review	NOUN
admet-729	292	19	.	.	PUNCT
admet-729	293	1	sciol	sciol	NOUN
admet-729	293	2	biotechnology	biotechnology	PROPN
admet-729	293	3	1	1	NUM
admet-729	293	4	(	(	PUNCT
admet-729	293	5	2018	2018	NUM
admet-729	293	6	)	)	PUNCT
admet-729	293	7	30	30	NUM
admet-729	293	8	-	-	SYM
admet-729	293	9	48	48	NUM
admet-729	293	10	.	.	PUNCT
admet-729	294	1	[	[	X
admet-729	294	2	10	10	NUM
admet-729	294	3	]	]	X
admet-729	294	4	s.b	s.b	PROPN
admet-729	294	5	.	.	PROPN
admet-729	294	6	nabuurs	nabuurs	PROPN
admet-729	294	7	,	,	PUNCT
admet-729	294	8	m.	m.	NOUN
admet-729	294	9	wagener	wagener	NOUN
admet-729	294	10	,	,	PUNCT
admet-729	294	11	j.	j.	PROPN
admet-729	294	12	de	de	PROPN
admet-729	294	13	vlieg	vlieg	PROPN
admet-729	294	14	.	.	PUNCT
admet-729	295	1	a	a	DET
admet-729	295	2	flexible	flexible	ADJ
admet-729	295	3	approach	approach	NOUN
admet-729	295	4	to	to	ADP
admet-729	295	5	induced	induce	VERB
admet-729	295	6	fit	fit	ADJ
admet-729	295	7	docking	docking	NOUN
admet-729	295	8	.	.	PUNCT
admet-729	296	1	j.	j.	PROPN
admet-729	296	2	med	med	PROPN
admet-729	296	3	.	.	PROPN
admet-729	296	4	chem	chem	PROPN
admet-729	296	5	.	.	PUNCT
admet-729	297	1	50	50	NUM
admet-729	297	2	(	(	PUNCT
admet-729	297	3	2007	2007	NUM
admet-729	297	4	)	)	PUNCT
admet-729	297	5	6507	6507	NUM
admet-729	297	6	-	-	SYM
admet-729	297	7	6518	6518	NUM
admet-729	297	8	.	.	PUNCT
admet-729	298	1	[	[	X
admet-729	298	2	11	11	NUM
admet-729	298	3	]	]	X
admet-729	298	4	e.	e.	PROPN
admet-729	298	5	sano	sano	PROPN
admet-729	298	6	,	,	PUNCT
admet-729	298	7	w.	w.	PROPN
admet-729	298	8	li	li	PROPN
admet-729	298	9	,	,	PUNCT
admet-729	298	10	h.	h.	PROPN
admet-729	298	11	yuki	yuki	PROPN
admet-729	298	12	,	,	PUNCT
admet-729	298	13	x.	x.	PROPN
admet-729	298	14	liu	liu	PROPN
admet-729	298	15	,	,	PUNCT
admet-729	298	16	v.	v.	ADP
admet-729	298	17	furihata	furihata	NOUN
admet-729	298	18	,	,	PUNCT
admet-729	298	19	k.	k.	PROPN
admet-729	298	20	kobayashi	kobayashi	PROPN
admet-729	298	21	,	,	PUNCT
admet-729	298	22	k.	k.	PROPN
admet-729	298	23	chiba	chiba	PROPN
admet-729	298	24	,	,	PUNCT
admet-729	298	25	s.	s.	PROPN
admet-729	298	26	neya	neya	PROPN
admet-729	298	27	,	,	PUNCT
admet-729	298	28	t.	t.	PROPN
admet-729	298	29	hoshino	hoshino	PROPN
admet-729	298	30	.	.	PUNCT
admet-729	298	31	mechanism	mechanism	NOUN
admet-729	298	32	of	of	ADP
admet-729	298	33	the	the	DET
admet-729	298	34	decrease	decrease	NOUN
admet-729	298	35	in	in	ADP
admet-729	298	36	catalytic	catalytic	ADJ
admet-729	298	37	activity	activity	NOUN
admet-729	298	38	of	of	ADP
admet-729	298	39	human	human	ADJ
admet-729	298	40	cytochrome	cytochrome	NOUN
admet-729	298	41	p450	p450	PROPN
admet-729	298	42	2c9	2c9	NUM
admet-729	298	43	polymorphic	polymorphic	ADJ
admet-729	298	44	variants	variant	NOUN
admet-729	298	45	investigated	investigate	VERB
admet-729	298	46	by	by	ADP
admet-729	298	47	computational	computational	ADJ
admet-729	298	48	analysis	analysis	NOUN
admet-729	298	49	.	.	PUNCT
admet-729	299	1	j.	j.	PROPN
admet-729	299	2	comput	comput	PROPN
admet-729	299	3	.	.	PUNCT
admet-729	300	1	chem	chem	NOUN
admet-729	300	2	.	.	PUNCT
admet-729	301	1	15	15	NUM
admet-729	301	2	(	(	PUNCT
admet-729	301	3	2010	2010	NUM
admet-729	301	4	)	)	PUNCT
admet-729	301	5	2746	2746	NUM
admet-729	301	6	-	-	SYM
admet-729	301	7	2758	2758	NUM
admet-729	301	8	.	.	PUNCT
admet-729	302	1	[	[	X
admet-729	302	2	12	12	NUM
admet-729	302	3	]	]	X
admet-729	302	4	y.	y.	PROPN
admet-729	302	5	sheng	sheng	PROPN
admet-729	302	6	,	,	PUNCT
admet-729	302	7	y.	y.	PROPN
admet-729	302	8	chen	chen	PROPN
admet-729	302	9	,	,	PUNCT
admet-729	302	10	l.	l.	PROPN
admet-729	302	11	wang	wang	PROPN
admet-729	302	12	,	,	PUNCT
admet-729	302	13	g.	g.	PROPN
admet-729	302	14	liu	liu	PROPN
admet-729	302	15	,	,	PUNCT
admet-729	302	16	w.	w.	PROPN
admet-729	302	17	li	li	PROPN
admet-729	302	18	,	,	PUNCT
admet-729	302	19	y.	y.	PROPN
admet-729	302	20	tang	tang	PROPN
admet-729	302	21	.	.	PUNCT
admet-729	303	1	effects	effect	NOUN
admet-729	303	2	of	of	ADP
admet-729	303	3	protein	protein	NOUN
admet-729	303	4	flexibility	flexibility	NOUN
admet-729	303	5	on	on	ADP
admet-729	303	6	the	the	DET
admet-729	303	7	site	site	NOUN
admet-729	303	8	of	of	ADP
admet-729	303	9	metabolism	metabolism	NOUN
admet-729	303	10	prediction	prediction	NOUN
admet-729	303	11	for	for	ADP
admet-729	303	12	cyp2a6	cyp2a6	NOUN
admet-729	303	13	substrates	substrate	NOUN
admet-729	303	14	.	.	PUNCT
admet-729	304	1	j.	j.	PROPN
admet-729	304	2	mol	mol	PROPN
admet-729	304	3	.	.	PROPN
admet-729	304	4	graph	graph	PROPN
admet-729	304	5	.	.	PUNCT
admet-729	304	6	model	model	NOUN
admet-729	304	7	.	.	PUNCT
admet-729	305	1	54	54	NUM
admet-729	305	2	(	(	PUNCT
admet-729	305	3	2014	2014	NUM
admet-729	305	4	)	)	PUNCT
admet-729	305	5	90	90	NUM
admet-729	305	6	-	-	SYM
admet-729	305	7	99	99	NUM
admet-729	305	8	.	.	PUNCT
admet-729	306	1	admet	admet	PROPN
admet-729	306	2	&	&	CCONJ
admet-729	306	3	dmpk	dmpk	PROPN
admet-729	306	4	7(4	7(4	NUM
admet-729	306	5	)	)	PUNCT
admet-729	306	6	(	(	PUNCT
admet-729	306	7	2019	2019	NUM
admet-729	306	8	)	)	PUNCT
admet-729	306	9	252	252	NUM
admet-729	306	10	-	-	SYM
admet-729	306	11	266	266	NUM
admet-729	306	12	induced	induce	VERB
admet-729	306	13	fit	fit	NOUN
admet-729	306	14	of	of	ADP
admet-729	306	15	cyp3a4	cyp3a4	PROPN
admet-729	306	16	doi	doi	PROPN
admet-729	306	17	:	:	PUNCT
admet-729	306	18	10.5599	10.5599	NUM
admet-729	306	19	/	/	SYM
admet-729	306	20	admet.729	admet.729	NOUN
admet-729	306	21	265	265	NUM
admet-729	307	1	[	[	X
admet-729	307	2	13	13	NUM
admet-729	307	3	]	]	PUNCT
admet-729	307	4	n.	n.	NOUN
admet-729	307	5	krishnamoorthy	krishnamoorthy	PROPN
admet-729	307	6	,	,	PUNCT
admet-729	307	7	p.	p.	PROPN
admet-729	307	8	gajendrarao	gajendrarao	PROPN
admet-729	307	9	,	,	PUNCT
admet-729	307	10	s.	s.	PROPN
admet-729	307	11	thangapandian	thangapandian	PROPN
admet-729	307	12	,	,	PUNCT
admet-729	307	13	y.	y.	PROPN
admet-729	307	14	lee	lee	PROPN
admet-729	307	15	,	,	PUNCT
admet-729	307	16	k.	k.	PROPN
admet-729	307	17	w.	w.	PROPN
admet-729	307	18	lee	lee	PROPN
admet-729	307	19	.	.	PUNCT
admet-729	308	1	probing	probe	VERB
admet-729	308	2	possible	possible	ADJ
admet-729	308	3	egress	egress	ADJ
admet-729	308	4	channels	channel	NOUN
admet-729	308	5	for	for	ADP
admet-729	308	6	multiple	multiple	ADJ
admet-729	308	7	ligands	ligand	NOUN
admet-729	308	8	in	in	ADP
admet-729	308	9	human	human	ADJ
admet-729	308	10	cyp3a4	cyp3a4	PROPN
admet-729	308	11	:	:	PUNCT
admet-729	308	12	a	a	DET
admet-729	308	13	molecular	molecular	ADJ
admet-729	308	14	modeling	modeling	NOUN
admet-729	308	15	study	study	NOUN
admet-729	308	16	.	.	PUNCT
admet-729	309	1	j.	j.	PROPN
admet-729	309	2	mol	mol	PROPN
admet-729	309	3	.	.	PROPN
admet-729	309	4	model	model	PROPN
admet-729	309	5	.	.	PUNCT
admet-729	310	1	16	16	NUM
admet-729	310	2	(	(	PUNCT
admet-729	310	3	2010	2010	NUM
admet-729	310	4	)	)	PUNCT
admet-729	310	5	607	607	NUM
admet-729	310	6	-	-	SYM
admet-729	310	7	614	614	NUM
admet-729	310	8	.	.	PUNCT
admet-729	311	1	[	[	X
admet-729	311	2	14	14	NUM
admet-729	311	3	]	]	X
admet-729	311	4	j.	j.	PROPN
admet-729	311	5	skopalík	skopalík	PROPN
admet-729	311	6	,	,	PUNCT
admet-729	311	7	p.	p.	NOUN
admet-729	311	8	anzenbacher	anzenbacher	NOUN
admet-729	311	9	,	,	PUNCT
admet-729	311	10	m.	m.	NOUN
admet-729	311	11	otyepka	otyepka	PROPN
admet-729	311	12	.	.	PUNCT
admet-729	312	1	flexibility	flexibility	NOUN
admet-729	312	2	of	of	ADP
admet-729	312	3	human	human	ADJ
admet-729	312	4	cytochromes	cytochrome	NOUN
admet-729	312	5	p450	p450	NUM
admet-729	312	6	:	:	PUNCT
admet-729	312	7	molecular	molecular	ADJ
admet-729	312	8	dynamics	dynamic	NOUN
admet-729	312	9	reveals	reveal	VERB
admet-729	312	10	differences	difference	NOUN
admet-729	312	11	between	between	ADP
admet-729	312	12	cyps	cyps	PROPN
admet-729	312	13	3a4	3a4	NUM
admet-729	312	14	,	,	PUNCT
admet-729	312	15	2c9	2c9	NUM
admet-729	312	16	,	,	PUNCT
admet-729	312	17	and	and	CCONJ
admet-729	312	18	2a6	2a6	NUM
admet-729	312	19	,	,	PUNCT
admet-729	312	20	which	which	PRON
admet-729	312	21	correlate	correlate	VERB
admet-729	312	22	with	with	ADP
admet-729	312	23	their	their	PRON
admet-729	312	24	substrate	substrate	NOUN
admet-729	312	25	preferences	preference	NOUN
admet-729	312	26	.	.	PUNCT
admet-729	313	1	j.	j.	PROPN
admet-729	313	2	phys	phys	PROPN
admet-729	313	3	.	.	PUNCT
admet-729	314	1	chem	chem	PROPN
admet-729	314	2	.	.	PUNCT
admet-729	315	1	b.	b.	PROPN
admet-729	315	2	112	112	NUM
admet-729	315	3	(	(	PUNCT
admet-729	315	4	2008	2008	NUM
admet-729	315	5	)	)	PUNCT
admet-729	315	6	8165	8165	NUM
admet-729	315	7	-	-	SYM
admet-729	315	8	8173	8173	NUM
admet-729	315	9	.	.	PUNCT
admet-729	316	1	[	[	X
admet-729	316	2	15	15	NUM
admet-729	316	3	]	]	X
admet-729	316	4	j.	j.	PROPN
admet-729	316	5	kirchmair	kirchmair	PROPN
admet-729	316	6	,	,	PUNCT
admet-729	316	7	m.j	m.j	PROPN
admet-729	316	8	.	.	PROPN
admet-729	316	9	williamson	williamson	PROPN
admet-729	316	10	,	,	PUNCT
admet-729	316	11	j.d	j.d	PROPN
admet-729	316	12	.	.	PROPN
admet-729	316	13	tyzack	tyzack	PROPN
admet-729	316	14	,	,	PUNCT
admet-729	316	15	l.	l.	PROPN
admet-729	316	16	tan	tan	PROPN
admet-729	316	17	,	,	PUNCT
admet-729	316	18	p.j	p.j	PROPN
admet-729	316	19	.	.	PROPN
admet-729	316	20	bond	bond	PROPN
admet-729	316	21	,	,	PUNCT
admet-729	316	22	a.	a.	NOUN
admet-729	316	23	bender	bender	PROPN
admet-729	316	24	,	,	PUNCT
admet-729	316	25	r.c	r.c	PROPN
admet-729	316	26	glen	glen	PROPN
admet-729	316	27	.	.	PUNCT
admet-729	317	1	computational	computational	ADJ
admet-729	317	2	prediction	prediction	NOUN
admet-729	317	3	of	of	ADP
admet-729	317	4	metabolism	metabolism	NOUN
admet-729	317	5	:	:	PUNCT
admet-729	317	6	sites	site	NOUN
admet-729	317	7	,	,	PUNCT
admet-729	317	8	products	product	NOUN
admet-729	317	9	,	,	PUNCT
admet-729	317	10	sar	sar	NOUN
admet-729	317	11	,	,	PUNCT
admet-729	317	12	p450	p450	ADJ
admet-729	317	13	enzyme	enzyme	NOUN
admet-729	317	14	dynamics	dynamic	NOUN
admet-729	317	15	,	,	PUNCT
admet-729	317	16	and	and	CCONJ
admet-729	317	17	mechanisms	mechanism	NOUN
admet-729	317	18	.	.	PUNCT
admet-729	318	1	j.	j.	PROPN
admet-729	318	2	chem	chem	PROPN
admet-729	318	3	.	.	PUNCT
admet-729	319	1	inf	inf	PROPN
admet-729	319	2	.	.	PROPN
admet-729	319	3	model	model	PROPN
admet-729	319	4	.	.	PUNCT
admet-729	320	1	52	52	NUM
admet-729	320	2	(	(	PUNCT
admet-729	320	3	2012	2012	NUM
admet-729	320	4	)	)	PUNCT
admet-729	320	5	617	617	NUM
admet-729	320	6	-	-	SYM
admet-729	320	7	648	648	NUM
admet-729	320	8	.	.	PUNCT
admet-729	321	1	[	[	X
admet-729	321	2	16	16	NUM
admet-729	321	3	]	]	X
admet-729	321	4	e.	e.	PROPN
admet-729	321	5	asciutto	asciutto	PROPN
admet-729	321	6	,	,	PUNCT
admet-729	321	7	m.	m.	NOUN
admet-729	321	8	dang	dang	PROPN
admet-729	321	9	,	,	PUNCT
admet-729	321	10	s.	s.	PROPN
admet-729	321	11	pochapsky	pochapsky	PROPN
admet-729	321	12	,	,	PUNCT
admet-729	321	13	j.	j.	PROPN
admet-729	321	14	madura	madura	PROPN
admet-729	321	15	,	,	PUNCT
admet-729	321	16	t.	t.	PROPN
admet-729	321	17	pochapsky	pochapsky	NOUN
admet-729	321	18	.	.	PUNCT
admet-729	322	1	experimentally	experimentally	ADV
admet-729	322	2	restrained	restrain	VERB
admet-729	322	3	molecular	molecular	ADJ
admet-729	322	4	dynamics	dynamic	NOUN
admet-729	322	5	simulations	simulation	NOUN
admet-729	322	6	for	for	ADP
admet-729	322	7	characterizing	characterize	VERB
admet-729	322	8	the	the	DET
admet-729	322	9	open	open	ADJ
admet-729	322	10	states	state	NOUN
admet-729	322	11	of	of	ADP
admet-729	322	12	cytochrome	cytochrome	PROPN
admet-729	322	13	p450cam	p450cam	PROPN
admet-729	322	14	.	.	PUNCT
admet-729	323	1	biochemistry	biochemistry	NOUN
admet-729	323	2	50	50	NUM
admet-729	323	3	(	(	PUNCT
admet-729	323	4	2011	2011	NUM
admet-729	323	5	)	)	PUNCT
admet-729	323	6	1664	1664	NUM
admet-729	323	7	-	-	SYM
admet-729	323	8	1671	1671	NUM
admet-729	323	9	.	.	PUNCT
admet-729	324	1	[	[	X
admet-729	324	2	17	17	NUM
admet-729	324	3	]	]	PUNCT
admet-729	324	4	a.	a.	PROPN
admet-729	324	5	roberts	roberts	PROPN
admet-729	324	6	,	,	PUNCT
admet-729	324	7	m.	m.	NOUN
admet-729	324	8	cheesman	cheesman	PROPN
admet-729	324	9	,	,	PUNCT
admet-729	324	10	a.	a.	NOUN
admet-729	324	11	primak	primak	PROPN
admet-729	324	12	,	,	PUNCT
admet-729	324	13	m.	m.	PROPN
admet-729	324	14	bowman	bowman	PROPN
admet-729	324	15	,	,	PUNCT
admet-729	324	16	w.	w.	PROPN
admet-729	324	17	atkins	atkins	PROPN
admet-729	324	18	,	,	PUNCT
admet-729	324	19	a.	a.	NOUN
admet-729	324	20	rettie	rettie	NOUN
admet-729	324	21	.	.	PUNCT
admet-729	325	1	intramolecular	intramolecular	ADJ
admet-729	325	2	heme	heme	NOUN
admet-729	325	3	ligation	ligation	NOUN
admet-729	325	4	of	of	ADP
admet-729	325	5	the	the	DET
admet-729	325	6	cytochrome	cytochrome	ADJ
admet-729	325	7	p450	p450	PROPN
admet-729	325	8	2c9	2c9	NUM
admet-729	325	9	r108h	r108h	NOUN
admet-729	325	10	mutant	mutant	NOUN
admet-729	325	11	demonstrates	demonstrate	VERB
admet-729	325	12	pronounced	pronounce	VERB
admet-729	325	13	conformational	conformational	ADJ
admet-729	325	14	flexibility	flexibility	NOUN
admet-729	325	15	of	of	ADP
admet-729	325	16	the	the	DET
admet-729	325	17	b−c	b−c	PROPN
admet-729	325	18	loop	loop	NOUN
admet-729	325	19	region	region	NOUN
admet-729	325	20	:	:	PUNCT
admet-729	325	21	implication	implication	NOUN
admet-729	325	22	for	for	ADP
admet-729	325	23	substrate	substrate	NOUN
admet-729	325	24	binding	bind	VERB
admet-729	325	25	.	.	PUNCT
admet-729	326	1	biochemistry	biochemistry	NOUN
admet-729	326	2	49	49	NUM
admet-729	326	3	(	(	PUNCT
admet-729	326	4	2010	2010	NUM
admet-729	326	5	)	)	PUNCT
admet-729	326	6	8700	8700	NUM
admet-729	326	7	-	-	SYM
admet-729	326	8	8708	8708	NUM
admet-729	326	9	.	.	PUNCT
admet-729	327	1	[	[	X
admet-729	327	2	18	18	NUM
admet-729	327	3	]	]	X
admet-729	327	4	y.	y.	PROPN
admet-729	327	5	chang	chang	PROPN
admet-729	327	6	,	,	PUNCT
admet-729	327	7	g.	g.	PROPN
admet-729	327	8	loew	loew	PROPN
admet-729	327	9	.	.	PUNCT
admet-729	328	1	homology	homology	PROPN
admet-729	328	2	modeling	modeling	NOUN
admet-729	328	3	,	,	PUNCT
admet-729	328	4	molecular	molecular	ADJ
admet-729	328	5	dynamics	dynamic	NOUN
admet-729	328	6	simulations	simulation	NOUN
admet-729	328	7	,	,	PUNCT
admet-729	328	8	and	and	CCONJ
admet-729	328	9	analysis	analysis	NOUN
admet-729	328	10	of	of	ADP
admet-729	328	11	cyp119	cyp119	PROPN
admet-729	328	12	,	,	PUNCT
admet-729	328	13	a	a	DET
admet-729	328	14	p450	p450	PROPN
admet-729	328	15	enzyme	enzyme	NOUN
admet-729	328	16	from	from	ADP
admet-729	328	17	extreme	extreme	ADJ
admet-729	328	18	acidothermophilic	acidothermophilic	ADJ
admet-729	328	19	archaeon	archaeon	NOUN
admet-729	328	20	sulfolobussolfataricus	sulfolobussolfataricus	NOUN
admet-729	328	21	.	.	PUNCT
admet-729	329	1	biochemistry	biochemistry	NOUN
admet-729	329	2	39	39	NUM
admet-729	329	3	(	(	PUNCT
admet-729	329	4	2000	2000	NUM
admet-729	329	5	)	)	PUNCT
admet-729	329	6	2484	2484	NUM
admet-729	329	7	-	-	SYM
admet-729	329	8	2498	2498	NUM
admet-729	329	9	.	.	PUNCT
admet-729	330	1	[	[	X
admet-729	330	2	19	19	NUM
admet-729	330	3	]	]	PUNCT
admet-729	330	4	i.	i.	PROPN
admet-729	330	5	quiroga	quiroga	PROPN
admet-729	330	6	,	,	PUNCT
admet-729	330	7	t.	t.	PROPN
admet-729	330	8	scior	scior	NOUN
admet-729	330	9	.	.	PUNCT
admet-729	331	1	structure	structure	NOUN
admet-729	331	2	-	-	PUNCT
admet-729	331	3	function	function	NOUN
admet-729	331	4	analysis	analysis	NOUN
admet-729	331	5	of	of	ADP
admet-729	331	6	the	the	DET
admet-729	331	7	cytochromes	cytochrome	NOUN
admet-729	331	8	p450	p450	PROPN
admet-729	331	9	,	,	PUNCT
admet-729	331	10	responsible	responsible	ADJ
admet-729	331	11	for	for	ADP
admet-729	331	12	phenprocoumon	phenprocoumon	ADJ
admet-729	331	13	metabolism	metabolism	NOUN
admet-729	331	14	.	.	PUNCT
admet-729	332	1	j.	j.	PROPN
admet-729	332	2	mex	mex	PROPN
admet-729	332	3	.	.	PUNCT
admet-729	332	4	chem	chem	PROPN
admet-729	332	5	.	.	PUNCT
admet-729	333	1	soc	soc	PROPN
admet-729	333	2	.	.	PUNCT
admet-729	334	1	61	61	NUM
admet-729	334	2	(	(	PUNCT
admet-729	334	3	2017	2017	NUM
admet-729	334	4	)	)	PUNCT
admet-729	334	5	349	349	NUM
admet-729	334	6	-	-	SYM
admet-729	334	7	360	360	NUM
admet-729	334	8	.	.	PUNCT
admet-729	335	1	[	[	X
admet-729	335	2	20	20	NUM
admet-729	335	3	]	]	PUNCT
admet-729	335	4	i.	i.	PROPN
admet-729	335	5	quiroga	quiroga	PROPN
admet-729	335	6	,	,	PUNCT
admet-729	335	7	f.	f.	PROPN
admet-729	335	8	meléndez	meléndez	PROPN
admet-729	335	9	,	,	PUNCT
admet-729	335	10	k.	k.	PROPN
admet-729	335	11	atonal	atonal	PROPN
admet-729	335	12	-	-	PUNCT
admet-729	335	13	salvador	salvador	NOUN
admet-729	335	14	,	,	PUNCT
admet-729	335	15	b.	b.	PROPN
admet-729	335	16	kammerer	kammerer	PROPN
admet-729	335	17	,	,	PUNCT
admet-729	335	18	t.	t.	PROPN
admet-729	335	19	scior	scior	PROPN
admet-729	335	20	.	.	PUNCT
admet-729	336	1	identification	identification	NOUN
admet-729	336	2	a	a	DET
admet-729	336	3	new	new	ADJ
admet-729	336	4	site	site	NOUN
admet-729	336	5	of	of	ADP
admet-729	336	6	metabolism	metabolism	NOUN
admet-729	336	7	for	for	ADP
admet-729	336	8	phenprocoumon	phenprocoumon	NOUN
admet-729	336	9	by	by	ADP
admet-729	336	10	modeling	model	VERB
admet-729	336	11	it	it	PRON
admet-729	336	12	’s	’	VERB
admet-729	336	13	cyp2c9	cyp2c9	NOUN
admet-729	336	14	hydroxylation	hydroxylation	NOUN
admet-729	336	15	pattern	pattern	NOUN
admet-729	336	16	.	.	PUNCT
admet-729	337	1	saj	saj	PROPN
admet-729	337	2	pharm	pharm	PROPN
admet-729	337	3	.	.	PUNCT
admet-729	338	1	pharmacol	pharmacol	PROPN
admet-729	338	2	.	.	PROPN
admet-729	339	1	5	5	NUM
admet-729	339	2	(	(	PUNCT
admet-729	339	3	2018	2018	NUM
admet-729	339	4	)	)	PUNCT
admet-729	339	5	1	1	NUM
admet-729	339	6	-	-	SYM
admet-729	339	7	12	12	NUM
admet-729	339	8	.	.	PUNCT
admet-729	340	1	[	[	X
admet-729	340	2	21	21	NUM
admet-729	340	3	]	]	PUNCT
admet-729	340	4	m.	m.	NOUN
admet-729	340	5	depristo	depristo	NOUN
admet-729	340	6	,	,	PUNCT
admet-729	340	7	p.	p.	PROPN
admet-729	340	8	de	de	PROPN
admet-729	340	9	bakker	bakker	PROPN
admet-729	340	10	,	,	PUNCT
admet-729	340	11	t.	t.	PROPN
admet-729	340	12	blundell	blundell	PROPN
admet-729	340	13	.	.	PUNCT
admet-729	341	1	heterogeneity	heterogeneity	PROPN
admet-729	341	2	and	and	CCONJ
admet-729	341	3	inaccuracy	inaccuracy	NOUN
admet-729	341	4	in	in	ADP
admet-729	341	5	protein	protein	NOUN
admet-729	341	6	structures	structure	NOUN
admet-729	341	7	solved	solve	VERB
admet-729	341	8	by	by	ADP
admet-729	341	9	x	x	NOUN
admet-729	341	10	-	-	NOUN
admet-729	341	11	ray	ray	NOUN
admet-729	341	12	crystallography	crystallography	NOUN
admet-729	341	13	.	.	PUNCT
admet-729	342	1	structure	structure	NOUN
admet-729	342	2	12	12	NUM
admet-729	342	3	(	(	PUNCT
admet-729	342	4	2004	2004	NUM
admet-729	342	5	)	)	PUNCT
admet-729	342	6	831	831	NUM
admet-729	342	7	-	-	SYM
admet-729	342	8	838	838	NUM
admet-729	342	9	.	.	PUNCT
admet-729	343	1	[	[	X
admet-729	343	2	22	22	NUM
admet-729	343	3	]	]	PUNCT
admet-729	343	4	m.	m.	NOUN
admet-729	343	5	andrec	andrec	PROPN
admet-729	343	6	,	,	PUNCT
admet-729	343	7	d.a	d.a	PROPN
admet-729	343	8	.	.	PROPN
admet-729	343	9	snyder	snyder	PROPN
admet-729	343	10	,	,	PUNCT
admet-729	343	11	z.	z.	PROPN
admet-729	343	12	zhou	zhou	PROPN
admet-729	343	13	,	,	PUNCT
admet-729	343	14	j.	j.	PROPN
admet-729	343	15	young	young	PROPN
admet-729	343	16	,	,	PUNCT
admet-729	343	17	g.t	g.t	PROPN
admet-729	343	18	.	.	PROPN
admet-729	343	19	montelione	montelione	PROPN
admet-729	343	20	,	,	PUNCT
admet-729	343	21	r.m	r.m	PROPN
admet-729	343	22	.	.	PROPN
admet-729	343	23	levy	levy	PROPN
admet-729	343	24	.	.	PUNCT
admet-729	344	1	a	a	DET
admet-729	344	2	large	large	ADJ
admet-729	344	3	data	datum	NOUN
admet-729	344	4	set	set	VERB
admet-729	344	5	comparison	comparison	NOUN
admet-729	344	6	of	of	ADP
admet-729	344	7	protein	protein	NOUN
admet-729	344	8	structures	structure	NOUN
admet-729	344	9	determined	determine	VERB
admet-729	344	10	by	by	ADP
admet-729	344	11	crystallography	crystallography	NOUN
admet-729	344	12	and	and	CCONJ
admet-729	344	13	nmr	nmr	NOUN
admet-729	344	14	:	:	PUNCT
admet-729	344	15	statistical	statistical	ADJ
admet-729	344	16	test	test	NOUN
admet-729	344	17	for	for	ADP
admet-729	344	18	structural	structural	ADJ
admet-729	344	19	differences	difference	NOUN
admet-729	344	20	and	and	CCONJ
admet-729	344	21	the	the	DET
admet-729	344	22	effect	effect	NOUN
admet-729	344	23	of	of	ADP
admet-729	344	24	crystal	crystal	NOUN
admet-729	344	25	packing	packing	NOUN
admet-729	344	26	.	.	PUNCT
admet-729	345	1	proteins	protein	NOUN
admet-729	345	2	69	69	NUM
admet-729	345	3	(	(	PUNCT
admet-729	345	4	2007	2007	NUM
admet-729	345	5	)	)	PUNCT
admet-729	345	6	449	449	NUM
admet-729	345	7	-	-	SYM
admet-729	345	8	465	465	NUM
admet-729	345	9	.	.	PUNCT
admet-729	346	1	[	[	X
admet-729	346	2	23	23	NUM
admet-729	346	3	]	]	X
admet-729	346	4	h.p	h.p	PROPN
admet-729	346	5	.	.	PROPN
admet-729	346	6	hersleth	hersleth	PROPN
admet-729	346	7	,	,	PUNCT
admet-729	346	8	k.k	k.k	PROPN
admet-729	346	9	.	.	PROPN
admet-729	346	10	andersson	andersson	PROPN
admet-729	346	11	.	.	PUNCT
admet-729	347	1	how	how	SCONJ
admet-729	347	2	different	different	ADJ
admet-729	347	3	oxidation	oxidation	NOUN
admet-729	347	4	states	state	NOUN
admet-729	347	5	of	of	ADP
admet-729	347	6	crystalline	crystalline	ADJ
admet-729	347	7	myoglobin	myoglobin	NOUN
admet-729	347	8	are	be	AUX
admet-729	347	9	influenced	influence	VERB
admet-729	347	10	by	by	ADP
admet-729	347	11	x	x	NOUN
admet-729	347	12	-	-	NOUN
admet-729	347	13	rays	ray	NOUN
admet-729	347	14	.	.	PUNCT
admet-729	348	1	biochim	biochim	PROPN
admet-729	348	2	biophys	biophy	NOUN
admet-729	348	3	acta	acta	PROPN
admet-729	348	4	1814	1814	NUM
admet-729	348	5	(	(	PUNCT
admet-729	348	6	2011	2011	NUM
admet-729	348	7	)	)	PUNCT
admet-729	348	8	785	785	NUM
admet-729	348	9	-	-	SYM
admet-729	348	10	796	796	NUM
admet-729	348	11	.	.	PUNCT
admet-729	349	1	[	[	X
admet-729	349	2	24	24	NUM
admet-729	349	3	]	]	X
admet-729	349	4	k.h	k.h	PROPN
admet-729	349	5	.	.	PROPN
admet-729	349	6	tiong	tiong	PROPN
admet-729	349	7	,	,	PUNCT
admet-729	349	8	n.a.m	n.a.m	PROPN
admet-729	349	9	.	.	PROPN
admet-729	349	10	yunus	yunus	PROPN
admet-729	349	11	,	,	PUNCT
admet-729	349	12	b.c	b.c	PROPN
admet-729	349	13	.	.	PROPN
admet-729	349	14	yiap	yiap	PROPN
admet-729	349	15	,	,	PUNCT
admet-729	349	16	e.l	e.l	PROPN
admet-729	349	17	.	.	PROPN
admet-729	349	18	tan	tan	PROPN
admet-729	349	19	,	,	PUNCT
admet-729	349	20	r.	r.	PROPN
admet-729	349	21	ismail	ismail	PROPN
admet-729	349	22	,	,	PUNCT
admet-729	349	23	c.	c.	PROPN
admet-729	349	24	e.	e.	PROPN
admet-729	349	25	ong	ong	PROPN
admet-729	349	26	.	.	PROPN
admet-729	349	27	inhibitory	inhibitory	ADJ
admet-729	349	28	potency	potency	NOUN
admet-729	349	29	of	of	ADP
admet-729	349	30	8methoxypsoralen	8methoxypsoralen	NUM
admet-729	349	31	on	on	ADP
admet-729	349	32	cytochrome	cytochrome	ADJ
admet-729	349	33	p450	p450	PROPN
admet-729	349	34	2a6	2a6	NUM
admet-729	349	35	(	(	PUNCT
admet-729	349	36	cyp2a6	cyp2a6	NOUN
admet-729	349	37	)	)	PUNCT
admet-729	349	38	allelic	allelic	ADJ
admet-729	349	39	variants	variant	NOUN
admet-729	350	1	cyp2a6	cyp2a6	PROPN
admet-729	350	2	*	*	PROPN
admet-729	350	3	15	15	NUM
admet-729	350	4	,	,	PUNCT
admet-729	350	5	cyp2a6	cyp2a6	PROPN
admet-729	350	6	*	*	SYM
admet-729	350	7	16	16	NUM
admet-729	350	8	,	,	PUNCT
admet-729	350	9	cyp2a6	cyp2a6	PROPN
admet-729	350	10	*	*	SYM
admet-729	350	11	21	21	NUM
admet-729	350	12	and	and	CCONJ
admet-729	350	13	cyp2a6	cyp2a6	PROPN
admet-729	350	14	*	*	NOUN
admet-729	350	15	22	22	NUM
admet-729	350	16	:	:	PUNCT
admet-729	350	17	differential	differential	NOUN
admet-729	350	18	susceptibility	susceptibility	NOUN
admet-729	350	19	due	due	ADP
admet-729	350	20	to	to	ADP
admet-729	350	21	different	different	ADJ
admet-729	350	22	sequence	sequence	NOUN
admet-729	350	23	locations	location	NOUN
admet-729	350	24	of	of	ADP
admet-729	350	25	the	the	DET
admet-729	350	26	mutations	mutation	NOUN
admet-729	350	27	.	.	PUNCT
admet-729	351	1	plos	plos	PROPN
admet-729	351	2	one	one	NUM
admet-729	351	3	9	9	NUM
admet-729	351	4	(	(	PUNCT
admet-729	351	5	2014	2014	NUM
admet-729	351	6	)	)	PUNCT
admet-729	351	7	e86230	e86230	PROPN
admet-729	351	8	.	.	PUNCT
admet-729	352	1	[	[	X
admet-729	352	2	25	25	NUM
admet-729	352	3	]	]	X
admet-729	352	4	c.r	c.r	PROPN
admet-729	352	5	.	.	PROPN
admet-729	352	6	lee	lee	PROPN
admet-729	352	7	,	,	PUNCT
admet-729	352	8	j.a	j.a	PROPN
admet-729	352	9	.	.	PROPN
admet-729	352	10	goldstein	goldstein	PROPN
admet-729	352	11	,	,	PUNCT
admet-729	352	12	j.a	j.a	PROPN
admet-729	352	13	.	.	PROPN
admet-729	352	14	pieper	pieper	PROPN
admet-729	352	15	.	.	PUNCT
admet-729	353	1	cytochrome	cytochrome	VERB
admet-729	353	2	p450	p450	PROPN
admet-729	353	3	2c9	2c9	NUM
admet-729	353	4	polymorphisms	polymorphism	NOUN
admet-729	353	5	:	:	PUNCT
admet-729	353	6	a	a	DET
admet-729	353	7	comprehensive	comprehensive	ADJ
admet-729	353	8	review	review	NOUN
admet-729	353	9	of	of	ADP
admet-729	353	10	the	the	DET
admet-729	353	11	in	in	NOUN
admet-729	353	12	-	-	PUNCT
admet-729	353	13	vitro	vitro	X
admet-729	353	14	and	and	CCONJ
admet-729	353	15	human	human	ADJ
admet-729	353	16	data	datum	NOUN
admet-729	353	17	.	.	PUNCT
admet-729	354	1	pharmacogenet	pharmacogenet	NOUN
admet-729	354	2	.	.	PUNCT
admet-729	355	1	genomics	genomic	NOUN
admet-729	355	2	12	12	NUM
admet-729	355	3	(	(	PUNCT
admet-729	355	4	2002	2002	NUM
admet-729	355	5	)	)	PUNCT
admet-729	355	6	251	251	NUM
admet-729	355	7	-	-	SYM
admet-729	355	8	263	263	NUM
admet-729	355	9	.	.	PUNCT
admet-729	356	1	[	[	X
admet-729	356	2	26	26	NUM
admet-729	356	3	]	]	X
admet-729	356	4	j.	j.	PROPN
admet-729	356	5	lampe	lampe	PROPN
admet-729	356	6	,	,	PUNCT
admet-729	356	7	r.	r.	PROPN
admet-729	356	8	brandman	brandman	PROPN
admet-729	356	9	,	,	PUNCT
admet-729	356	10	s.	s.	PROPN
admet-729	356	11	sivaramakrishnan	sivaramakrishnan	PROPN
admet-729	356	12	,	,	PUNCT
admet-729	356	13	p.o	p.o	PROPN
admet-729	356	14	.	.	PROPN
admet-729	356	15	de	de	X
admet-729	356	16	montellano	montellano	NOUN
admet-729	356	17	.	.	PUNCT
admet-729	357	1	two	two	NUM
admet-729	357	2	-	-	PUNCT
admet-729	357	3	dimensional	dimensional	ADJ
admet-729	357	4	nmr	nmr	NOUN
admet-729	357	5	and	and	CCONJ
admet-729	357	6	allatom	allatom	NOUN
admet-729	357	7	molecular	molecular	ADJ
admet-729	357	8	dynamics	dynamic	NOUN
admet-729	357	9	of	of	ADP
admet-729	357	10	cytochrome	cytochrome	NOUN
admet-729	357	11	p450	p450	PROPN
admet-729	357	12	cyp119	cyp119	PROPN
admet-729	357	13	reveal	reveal	VERB
admet-729	357	14	hidden	hide	VERB
admet-729	357	15	conformational	conformational	ADJ
admet-729	357	16	substates	substate	NOUN
admet-729	357	17	.	.	PUNCT
admet-729	358	1	j.	j.	PROPN
admet-729	358	2	biol	biol	PROPN
admet-729	358	3	.	.	PUNCT
admet-729	359	1	chem	chem	NOUN
admet-729	359	2	.	.	PUNCT
admet-729	360	1	13	13	NUM
admet-729	360	2	(	(	PUNCT
admet-729	360	3	2010	2010	NUM
admet-729	360	4	)	)	PUNCT
admet-729	360	5	9594	9594	NUM
admet-729	360	6	-	-	SYM
admet-729	360	7	9603	9603	NUM
admet-729	360	8	.	.	PUNCT
admet-729	361	1	[	[	X
admet-729	361	2	27	27	NUM
admet-729	361	3	]	]	X
admet-729	361	4	v.n	v.n	PROPN
admet-729	361	5	.	.	PROPN
admet-729	361	6	maiorov	maiorov	PROPN
admet-729	361	7	,	,	PUNCT
admet-729	361	8	g.m	g.m	PROPN
admet-729	361	9	.	.	PROPN
admet-729	361	10	crippen	crippen	PROPN
admet-729	361	11	.	.	PUNCT
admet-729	362	1	significance	significance	NOUN
admet-729	362	2	of	of	ADP
admet-729	362	3	root	root	NOUN
admet-729	362	4	-	-	PUNCT
admet-729	362	5	mean	mean	ADJ
admet-729	362	6	-	-	PUNCT
admet-729	362	7	square	square	NOUN
admet-729	362	8	deviation	deviation	NOUN
admet-729	362	9	in	in	ADP
admet-729	362	10	comparing	compare	VERB
admet-729	362	11	threedimensional	threedimensional	ADJ
admet-729	362	12	structures	structure	NOUN
admet-729	362	13	of	of	ADP
admet-729	362	14	globular	globular	ADJ
admet-729	362	15	proteins	protein	NOUN
admet-729	362	16	.	.	PUNCT
admet-729	363	1	j.	j.	PROPN
admet-729	363	2	mol	mol	PROPN
admet-729	363	3	.	.	PUNCT
admet-729	364	1	biol	biol	PROPN
admet-729	364	2	.	.	PUNCT
admet-729	365	1	2	2	NUM
admet-729	365	2	(	(	PUNCT
admet-729	365	3	1994	1994	NUM
admet-729	365	4	)	)	PUNCT
admet-729	365	5	625	625	NUM
admet-729	365	6	-	-	SYM
admet-729	365	7	634	634	NUM
admet-729	365	8	.	.	PUNCT
admet-729	366	1	[	[	X
admet-729	366	2	28	28	NUM
admet-729	366	3	]	]	X
admet-729	366	4	i.	i.	PROPN
admet-729	366	5	kufareva	kufareva	PROPN
admet-729	366	6	,	,	PUNCT
admet-729	366	7	r.	r.	PROPN
admet-729	366	8	abagyan	abagyan	PROPN
admet-729	366	9	.	.	PUNCT
admet-729	367	1	methods	method	NOUN
admet-729	367	2	of	of	ADP
admet-729	367	3	protein	protein	NOUN
admet-729	367	4	structure	structure	NOUN
admet-729	367	5	comparison	comparison	NOUN
admet-729	367	6	.	.	PUNCT
admet-729	368	1	methods	method	NOUN
admet-729	368	2	mol	mol	PROPN
admet-729	368	3	.	.	PUNCT
admet-729	369	1	biol	biol	PROPN
admet-729	369	2	.	.	PUNCT
admet-729	370	1	857	857	NUM
admet-729	370	2	(	(	PUNCT
admet-729	370	3	2012	2012	NUM
admet-729	370	4	)	)	PUNCT
admet-729	370	5	231	231	NUM
admet-729	370	6	-	-	SYM
admet-729	370	7	257	257	NUM
admet-729	370	8	.	.	PUNCT
admet-729	371	1	[	[	X
admet-729	371	2	29	29	NUM
admet-729	371	3	]	]	X
admet-729	371	4	j.k	j.k	PROPN
admet-729	371	5	.	.	PROPN
admet-729	371	6	yano	yano	PROPN
admet-729	371	7	,	,	PUNCT
admet-729	371	8	m.r	m.r	PROPN
admet-729	371	9	.	.	PROPN
admet-729	371	10	wester	wester	PROPN
admet-729	371	11	,	,	PUNCT
admet-729	371	12	g.a	g.a	PROPN
admet-729	371	13	.	.	PROPN
admet-729	371	14	schoch	schoch	PROPN
admet-729	371	15	,	,	PUNCT
admet-729	371	16	k.j	k.j	PROPN
admet-729	371	17	.	.	PROPN
admet-729	371	18	griffin	griffin	PROPN
admet-729	371	19	,	,	PUNCT
admet-729	371	20	c.d	c.d	PROPN
admet-729	371	21	.	.	PROPN
admet-729	371	22	stout	stout	PROPN
admet-729	371	23	,	,	PUNCT
admet-729	371	24	e.f	e.f	PROPN
admet-729	371	25	.	.	PROPN
admet-729	371	26	johnson	johnson	PROPN
admet-729	371	27	.	.	PUNCT
admet-729	372	1	the	the	DET
admet-729	372	2	structure	structure	NOUN
admet-729	372	3	of	of	ADP
admet-729	372	4	human	human	ADJ
admet-729	372	5	microsomal	microsomal	NOUN
admet-729	372	6	cytochrome	cytochrome	NOUN
admet-729	372	7	p450	p450	PROPN
admet-729	372	8	3a4	3a4	NUM
admet-729	372	9	determined	determine	VERB
admet-729	372	10	by	by	ADP
admet-729	372	11	x	x	NOUN
admet-729	372	12	-	-	NOUN
admet-729	372	13	ray	ray	NOUN
admet-729	372	14	crystallography	crystallography	NOUN
admet-729	372	15	to	to	ADP
admet-729	372	16	2.05	2.05	NUM
admet-729	372	17	-	-	PUNCT
admet-729	372	18	å	å	NOUN
admet-729	372	19	resolution	resolution	NOUN
admet-729	372	20	.	.	PUNCT
admet-729	373	1	j.	j.	PROPN
admet-729	373	2	biol	biol	PROPN
admet-729	373	3	.	.	PUNCT
admet-729	374	1	chem	chem	NOUN
admet-729	374	2	.	.	PUNCT
admet-729	375	1	279	279	NUM
admet-729	375	2	(	(	PUNCT
admet-729	375	3	2004	2004	NUM
admet-729	375	4	)	)	PUNCT
admet-729	375	5	38091	38091	NUM
admet-729	375	6	-	-	SYM
admet-729	375	7	38094	38094	NUM
admet-729	375	8	.	.	PUNCT
admet-729	376	1	[	[	X
admet-729	376	2	30	30	NUM
admet-729	376	3	]	]	X
admet-729	376	4	i.f	i.f	PROPN
admet-729	376	5	.	.	PROPN
admet-729	376	6	sevrioukova	sevrioukova	PROPN
admet-729	376	7	,	,	PUNCT
admet-729	376	8	t.l	t.l	PROPN
admet-729	376	9	.	.	PUNCT
admet-729	376	10	poulos	poulos	PROPN
admet-729	376	11	.	.	PROPN
admet-729	376	12	interaction	interaction	NOUN
admet-729	376	13	of	of	ADP
admet-729	376	14	human	human	ADJ
admet-729	376	15	cytochrome	cytochrome	NOUN
admet-729	376	16	p4503a4	p4503a4	PROPN
admet-729	376	17	with	with	ADP
admet-729	376	18	ritonavir	ritonavir	PROPN
admet-729	376	19	analogs	analog	NOUN
admet-729	376	20	.	.	PUNCT
admet-729	377	1	arch	arch	PROPN
admet-729	377	2	.	.	PUNCT
admet-729	378	1	biochem	biochem	PROPN
admet-729	378	2	.	.	PUNCT
admet-729	379	1	biophys	biophy	NOUN
admet-729	379	2	.	.	PUNCT
admet-729	380	1	520	520	NUM
admet-729	380	2	(	(	PUNCT
admet-729	380	3	2012	2012	NUM
admet-729	380	4	)	)	PUNCT
admet-729	380	5	108	108	NUM
admet-729	380	6	-	-	SYM
admet-729	380	7	116	116	NUM
admet-729	380	8	.	.	PUNCT
admet-729	380	9	quiroga	quiroga	PROPN
admet-729	380	10	and	and	CCONJ
admet-729	380	11	scior	scior	PROPN
admet-729	380	12	admet	admet	PROPN
admet-729	380	13	&	&	CCONJ
admet-729	380	14	dmpk	dmpk	PROPN
admet-729	380	15	7(4	7(4	NUM
admet-729	380	16	)	)	PUNCT
admet-729	380	17	(	(	PUNCT
admet-729	380	18	2019	2019	NUM
admet-729	380	19	)	)	PUNCT
admet-729	380	20	252	252	NUM
admet-729	380	21	-	-	SYM
admet-729	380	22	266	266	NUM
admet-729	380	23	266	266	NUM
admet-729	380	24	[	[	PUNCT
admet-729	380	25	31	31	NUM
admet-729	380	26	]	]	PUNCT
admet-729	380	27	m.	m.	NOUN
admet-729	380	28	ekroos	ekroos	PROPN
admet-729	380	29	,	,	PUNCT
admet-729	380	30	t.	t.	PROPN
admet-729	380	31	sjögren	sjögren	PROPN
admet-729	380	32	.	.	PUNCT
admet-729	381	1	structural	structural	ADJ
admet-729	381	2	basis	basis	NOUN
admet-729	381	3	for	for	ADP
admet-729	381	4	ligand	ligand	ADJ
admet-729	381	5	promiscuity	promiscuity	NOUN
admet-729	381	6	in	in	ADP
admet-729	381	7	cytochrome	cytochrome	ADJ
admet-729	381	8	p450	p450	PROPN
admet-729	381	9	3a4	3a4	NUM
admet-729	381	10	.	.	PUNCT
admet-729	382	1	proc	proc	NOUN
admet-729	382	2	.	.	PUNCT
admet-729	383	1	natl	natl	PROPN
admet-729	383	2	.	.	PUNCT
admet-729	384	1	acad	acad	PROPN
admet-729	384	2	.	.	PUNCT
admet-729	385	1	sci	sci	PROPN
admet-729	385	2	.	.	PROPN
admet-729	385	3	103	103	NUM
admet-729	385	4	(	(	PUNCT
admet-729	385	5	2006	2006	NUM
admet-729	385	6	)	)	PUNCT
admet-729	385	7	13682	13682	NUM
admet-729	385	8	-	-	SYM
admet-729	385	9	13687	13687	NUM
admet-729	385	10	.	.	PUNCT
admet-729	386	1	[	[	X
admet-729	386	2	32	32	NUM
admet-729	386	3	]	]	PUNCT
admet-729	386	4	e.	e.	PROPN
admet-729	386	5	scott	scott	PROPN
admet-729	386	6	,	,	PUNCT
admet-729	386	7	y.	y.	PROPN
admet-729	386	8	he	he	PRON
admet-729	386	9	,	,	PUNCT
admet-729	386	10	m.	m.	NOUN
admet-729	386	11	wester	wester	PROPN
admet-729	386	12	,	,	PUNCT
admet-729	386	13	m.	m.	NOUN
admet-729	386	14	white	white	PROPN
admet-729	386	15	,	,	PUNCT
admet-729	386	16	c.	c.	PROPN
admet-729	386	17	chin	chin	PROPN
admet-729	386	18	,	,	PUNCT
admet-729	386	19	j.	j.	PROPN
admet-729	386	20	halpert	halpert	PROPN
admet-729	386	21	,	,	PUNCT
admet-729	386	22	e.	e.	PROPN
admet-729	386	23	johnson	johnson	PROPN
admet-729	386	24	,	,	PUNCT
admet-729	386	25	c.	c.	PROPN
admet-729	386	26	stout	stout	PROPN
admet-729	386	27	.	.	PUNCT
admet-729	387	1	an	an	DET
admet-729	387	2	open	open	ADJ
admet-729	387	3	conformation	conformation	NOUN
admet-729	387	4	of	of	ADP
admet-729	387	5	mammalian	mammalian	ADJ
admet-729	387	6	cytochrome	cytochrome	NOUN
admet-729	387	7	p450	p450	PROPN
admet-729	387	8	2b4	2b4	NUM
admet-729	387	9	at	at	ADP
admet-729	387	10	1.6	1.6	NUM
admet-729	387	11	a	a	DET
admet-729	387	12	resolution	resolution	NOUN
admet-729	387	13	.	.	PUNCT
admet-729	388	1	proc	proc	PROPN
admet-729	388	2	.	.	PUNCT
admet-729	389	1	natl	natl	PROPN
admet-729	389	2	.	.	PUNCT
admet-729	390	1	acad	acad	PROPN
admet-729	390	2	.	.	PUNCT
admet-729	391	1	sci	sci	PROPN
admet-729	391	2	.	.	PROPN
admet-729	392	1	23	23	NUM
admet-729	392	2	(	(	PUNCT
admet-729	392	3	2003	2003	NUM
admet-729	392	4	)	)	PUNCT
admet-729	392	5	1319613201	1319613201	NUM
admet-729	392	6	.	.	PUNCT
admet-729	393	1	[	[	X
admet-729	393	2	33	33	NUM
admet-729	393	3	]	]	PUNCT
admet-729	393	4	p.	p.	PROPN
admet-729	393	5	wilderman	wilderman	PROPN
admet-729	393	6	,	,	PUNCT
admet-729	393	7	m.	m.	NOUN
admet-729	393	8	shah	shah	NOUN
admet-729	393	9	,	,	PUNCT
admet-729	393	10	t.	t.	PROPN
admet-729	393	11	liu	liu	PROPN
admet-729	393	12	,	,	PUNCT
admet-729	393	13	s.	s.	PROPN
admet-729	393	14	li	li	PROPN
admet-729	393	15	,	,	PUNCT
admet-729	393	16	s.	s.	PROPN
admet-729	393	17	hsu	hsu	PROPN
admet-729	393	18	,	,	PUNCT
admet-729	393	19	a.	a.	PROPN
admet-729	393	20	roberts	roberts	PROPN
admet-729	393	21	,	,	PUNCT
admet-729	393	22	d.	d.	PROPN
admet-729	393	23	goodlett	goodlett	PROPN
admet-729	393	24	,	,	PUNCT
admet-729	393	25	q.	q.	PROPN
admet-729	393	26	zhang	zhang	PROPN
admet-729	393	27	,	,	PUNCT
admet-729	393	28	v.	v.	ADP
admet-729	393	29	woods	wood	NOUN
admet-729	393	30	,	,	PUNCT
admet-729	393	31	c.	c.	PROPN
admet-729	393	32	stout	stout	PROPN
admet-729	393	33	,	,	PUNCT
admet-729	393	34	j.	j.	PROPN
admet-729	393	35	halpert	halpert	PROPN
admet-729	393	36	.	.	PUNCT
admet-729	394	1	plasticity	plasticity	NOUN
admet-729	394	2	of	of	ADP
admet-729	394	3	cytochrome	cytochrome	ADJ
admet-729	394	4	p450	p450	PROPN
admet-729	394	5	2b4	2b4	NUM
admet-729	394	6	as	as	SCONJ
admet-729	394	7	investigated	investigate	VERB
admet-729	394	8	by	by	ADP
admet-729	394	9	hydrogen	hydrogen	NOUN
admet-729	394	10	-	-	PUNCT
admet-729	394	11	deuterium	deuterium	NOUN
admet-729	394	12	exchange	exchange	PROPN
admet-729	394	13	mass	mass	PROPN
admet-729	394	14	spectrometry	spectrometry	NOUN
admet-729	394	15	and	and	CCONJ
admet-729	394	16	x	x	NOUN
admet-729	394	17	-	-	NOUN
admet-729	394	18	ray	ray	NOUN
admet-729	394	19	crystallography	crystallography	NOUN
admet-729	394	20	.	.	PUNCT
admet-729	395	1	j.	j.	PROPN
admet-729	395	2	biol	biol	PROPN
admet-729	395	3	.	.	PUNCT
admet-729	396	1	chem	chem	PROPN
admet-729	396	2	.	.	PUNCT
admet-729	397	1	49	49	NUM
admet-729	397	2	(	(	PUNCT
admet-729	397	3	2010	2010	NUM
admet-729	397	4	)	)	PUNCT
admet-729	397	5	38602	38602	NUM
admet-729	397	6	-	-	SYM
admet-729	397	7	38611	38611	NUM
admet-729	397	8	.	.	PUNCT
admet-729	398	1	[	[	X
admet-729	398	2	34	34	NUM
admet-729	398	3	]	]	X
admet-729	398	4	f.c	f.c	PROPN
admet-729	398	5	.	.	PROPN
admet-729	398	6	bernstein	bernstein	PROPN
admet-729	398	7	,	,	PUNCT
admet-729	398	8	t.f	t.f	PROPN
admet-729	398	9	.	.	PROPN
admet-729	398	10	koetzle	koetzle	PROPN
admet-729	398	11	,	,	PUNCT
admet-729	398	12	g.j	g.j	PROPN
admet-729	398	13	.	.	PROPN
admet-729	398	14	williams	williams	PROPN
admet-729	398	15	,	,	PUNCT
admet-729	398	16	e.f	e.f	PROPN
admet-729	398	17	.	.	PROPN
admet-729	398	18	meyer	meyer	PROPN
admet-729	398	19	,	,	PUNCT
admet-729	398	20	m.d	m.d	PROPN
admet-729	398	21	.	.	PROPN
admet-729	398	22	brice	brice	PROPN
admet-729	398	23	,	,	PUNCT
admet-729	398	24	j.r	j.r	PROPN
admet-729	398	25	.	.	PROPN
admet-729	398	26	rodgers	rodgers	PROPN
admet-729	398	27	,	,	PUNCT
admet-729	398	28	m.	m.	NOUN
admet-729	398	29	tasumi	tasumi	PROPN
admet-729	398	30	.	.	PUNCT
admet-729	399	1	the	the	DET
admet-729	399	2	protein	protein	NOUN
admet-729	399	3	data	data	PROPN
admet-729	399	4	bank	bank	PROPN
admet-729	399	5	.	.	PUNCT
admet-729	400	1	eur	eur	PROPN
admet-729	400	2	.	.	PUNCT
admet-729	401	1	j.	j.	PROPN
admet-729	401	2	biochem	biochem	PROPN
admet-729	401	3	.	.	PUNCT
admet-729	402	1	80	80	NUM
admet-729	402	2	(	(	PUNCT
admet-729	402	3	1977	1977	NUM
admet-729	402	4	)	)	PUNCT
admet-729	402	5	319	319	NUM
admet-729	402	6	-	-	SYM
admet-729	402	7	324	324	NUM
admet-729	402	8	.	.	PUNCT
admet-729	403	1	[	[	X
admet-729	403	2	35	35	NUM
admet-729	403	3	]	]	X
admet-729	403	4	w.	w.	PROPN
admet-729	403	5	humphrey	humphrey	PROPN
admet-729	403	6	,	,	PUNCT
admet-729	403	7	a.	a.	PROPN
admet-729	403	8	dalke	dalke	PROPN
admet-729	403	9	,	,	PUNCT
admet-729	403	10	k.	k.	PROPN
admet-729	403	11	schulten	schulten	PROPN
admet-729	403	12	.	.	PUNCT
admet-729	404	1	vmd	vmd	PROPN
admet-729	404	2	:	:	PUNCT
admet-729	404	3	visual	visual	ADJ
admet-729	404	4	molecular	molecular	ADJ
admet-729	404	5	dynamics	dynamic	NOUN
admet-729	404	6	.	.	PUNCT
admet-729	405	1	j.	j.	PROPN
admet-729	405	2	mol	mol	PROPN
admet-729	405	3	.	.	PROPN
admet-729	405	4	graph	graph	NOUN
admet-729	405	5	.	.	PUNCT
admet-729	406	1	14	14	NUM
admet-729	406	2	(	(	PUNCT
admet-729	406	3	1996	1996	NUM
admet-729	406	4	)	)	PUNCT
admet-729	406	5	3338	3338	NUM
admet-729	406	6	.	.	PUNCT
admet-729	407	1	[	[	X
admet-729	407	2	36	36	NUM
admet-729	407	3	]	]	X
admet-729	407	4	j.c	j.c	PROPN
admet-729	407	5	.	.	PROPN
admet-729	407	6	phillips	phillips	PROPN
admet-729	407	7	,	,	PUNCT
admet-729	407	8	r.	r.	PROPN
admet-729	407	9	braun	braun	PROPN
admet-729	407	10	,	,	PUNCT
admet-729	407	11	w.	w.	PROPN
admet-729	407	12	wang	wang	PROPN
admet-729	407	13	,	,	PUNCT
admet-729	407	14	j.	j.	PROPN
admet-729	407	15	gumbart	gumbart	PROPN
admet-729	407	16	,	,	PUNCT
admet-729	407	17	e.	e.	PROPN
admet-729	407	18	tajkhorshid	tajkhorshid	PROPN
admet-729	407	19	,	,	PUNCT
admet-729	407	20	e.	e.	PROPN
admet-729	407	21	villa	villa	PROPN
admet-729	407	22	,	,	PUNCT
admet-729	407	23	c.	c.	PROPN
admet-729	407	24	chipot	chipot	PROPN
admet-729	407	25	,	,	PUNCT
admet-729	407	26	r.d	r.d	PROPN
admet-729	407	27	.	.	PROPN
admet-729	407	28	skeel	skeel	PROPN
admet-729	407	29	,	,	PUNCT
admet-729	407	30	l.	l.	PROPN
admet-729	407	31	kale	kale	PROPN
admet-729	407	32	,	,	PUNCT
admet-729	407	33	k.	k.	PROPN
admet-729	407	34	schulten	schulten	PROPN
admet-729	407	35	.	.	PUNCT
admet-729	408	1	scalable	scalable	ADJ
admet-729	408	2	molecular	molecular	ADJ
admet-729	408	3	dynamics	dynamic	NOUN
admet-729	408	4	with	with	ADP
admet-729	408	5	namd	namd	NOUN
admet-729	408	6	.	.	PUNCT
admet-729	409	1	j.	j.	PROPN
admet-729	409	2	comput	comput	PROPN
admet-729	409	3	.	.	PUNCT
admet-729	410	1	chem	chem	NOUN
admet-729	410	2	.	.	PUNCT
admet-729	411	1	26	26	NUM
admet-729	411	2	(	(	PUNCT
admet-729	411	3	2005	2005	NUM
admet-729	411	4	)	)	PUNCT
admet-729	411	5	1781	1781	NUM
admet-729	411	6	-	-	SYM
admet-729	411	7	1802	1802	NUM
admet-729	411	8	.	.	PUNCT
admet-729	412	1	[	[	X
admet-729	412	2	37	37	NUM
admet-729	412	3	]	]	X
admet-729	412	4	b.r	b.r	PROPN
admet-729	412	5	.	.	PROPN
admet-729	412	6	brooks	brooks	PROPN
admet-729	412	7	,	,	PUNCT
admet-729	412	8	c.l	c.l	PROPN
admet-729	412	9	.	.	PROPN
admet-729	412	10	brooks	brooks	PROPN
admet-729	412	11	,	,	PUNCT
admet-729	412	12	iii	iii	PROPN
admet-729	412	13	,	,	PUNCT
admet-729	412	14	a.d	a.d	PROPN
admet-729	412	15	.	.	PROPN
admet-729	412	16	mackerell	mackerell	PROPN
admet-729	412	17	,	,	PUNCT
admet-729	412	18	jr	jr	PROPN
admet-729	412	19	.	.	PROPN
admet-729	412	20	,	,	PUNCT
admet-729	412	21	l.	l.	PROPN
admet-729	412	22	nilsson	nilsson	PROPN
admet-729	412	23	,	,	PUNCT
admet-729	412	24	r.j	r.j	PROPN
admet-729	412	25	.	.	PROPN
admet-729	412	26	petrella	petrella	PROPN
admet-729	412	27	,	,	PUNCT
admet-729	412	28	b.	b.	PROPN
admet-729	412	29	roux	roux	NOUN
admet-729	412	30	,	,	PUNCT
admet-729	412	31	y.	y.	PROPN
admet-729	412	32	won	won	PROPN
admet-729	412	33	,	,	PUNCT
admet-729	412	34	g.	g.	PROPN
admet-729	412	35	archontis	archontis	PROPN
admet-729	412	36	,	,	PUNCT
admet-729	412	37	c.	c.	PROPN
admet-729	412	38	bartels	bartels	PROPN
admet-729	412	39	,	,	PUNCT
admet-729	412	40	s.	s.	PROPN
admet-729	412	41	boresch	boresch	PROPN
admet-729	412	42	,	,	PUNCT
admet-729	412	43	a.	a.	PROPN
admet-729	412	44	caflisch	caflisch	PROPN
admet-729	412	45	,	,	PUNCT
admet-729	412	46	l.	l.	PROPN
admet-729	412	47	caves	caves	PROPN
admet-729	412	48	,	,	PUNCT
admet-729	412	49	q.	q.	PROPN
admet-729	412	50	cui	cui	PROPN
admet-729	412	51	,	,	PUNCT
admet-729	412	52	a.r	a.r	PROPN
admet-729	412	53	.	.	PROPN
admet-729	412	54	dinner	dinner	NOUN
admet-729	412	55	,	,	PUNCT
admet-729	412	56	m.	m.	NOUN
admet-729	412	57	feig	feig	PROPN
admet-729	412	58	,	,	PUNCT
admet-729	412	59	s.	s.	PROPN
admet-729	412	60	fischer	fischer	PROPN
admet-729	412	61	,	,	PUNCT
admet-729	412	62	j.	j.	PROPN
admet-729	412	63	gao	gao	PROPN
admet-729	412	64	,	,	PUNCT
admet-729	412	65	m.	m.	NOUN
admet-729	412	66	hodoscek	hodoscek	PROPN
admet-729	412	67	,	,	PUNCT
admet-729	412	68	w.	w.	PROPN
admet-729	412	69	i	i	PROPN
admet-729	412	70	m	m	PROPN
admet-729	412	71	,	,	PUNCT
admet-729	412	72	k.	k.	PROPN
admet-729	412	73	kuczera	kuczera	PROPN
admet-729	412	74	,	,	PUNCT
admet-729	412	75	t.	t.	PROPN
admet-729	412	76	lazaridis	lazaridis	PROPN
admet-729	412	77	,	,	PUNCT
admet-729	412	78	j.	j.	PROPN
admet-729	412	79	ma	ma	PROPN
admet-729	412	80	,	,	PUNCT
admet-729	412	81	v.	v.	ADP
admet-729	412	82	ovchinnikov	ovchinnikov	PROPN
admet-729	412	83	,	,	PUNCT
admet-729	412	84	e.	e.	PROPN
admet-729	412	85	paci	paci	PROPN
admet-729	412	86	,	,	PUNCT
admet-729	412	87	r.w	r.w	PROPN
admet-729	412	88	.	.	PROPN
admet-729	412	89	pastor	pastor	PROPN
admet-729	412	90	,	,	PUNCT
admet-729	412	91	c.b	c.b	PROPN
admet-729	412	92	.	.	PROPN
admet-729	412	93	post	post	PROPN
admet-729	412	94	,	,	PUNCT
admet-729	412	95	j.z	j.z	PROPN
admet-729	412	96	.	.	PROPN
admet-729	412	97	pu	pu	PROPN
admet-729	412	98	,	,	PUNCT
admet-729	412	99	m.	m.	NOUN
admet-729	412	100	schaefer	schaefer	PROPN
admet-729	412	101	,	,	PUNCT
admet-729	412	102	b.	b.	PROPN
admet-729	412	103	tidor	tidor	PROPN
admet-729	412	104	,	,	PUNCT
admet-729	412	105	r.	r.	PROPN
admet-729	412	106	m.	m.	PROPN
admet-729	412	107	venable	venable	PROPN
admet-729	412	108	,	,	PUNCT
admet-729	412	109	h.	h.	PROPN
admet-729	412	110	l.	l.	PROPN
admet-729	412	111	woodcock	woodcock	PROPN
admet-729	412	112	,	,	PUNCT
admet-729	412	113	x.	x.	PROPN
admet-729	412	114	wu	wu	PROPN
admet-729	412	115	,	,	PUNCT
admet-729	412	116	w.	w.	PROPN
admet-729	412	117	yang	yang	PROPN
admet-729	412	118	,	,	PUNCT
admet-729	412	119	d.m	d.m	PROPN
admet-729	412	120	.	.	PROPN
admet-729	412	121	york	york	PROPN
admet-729	412	122	,	,	PUNCT
admet-729	412	123	m.	m.	PROPN
admet-729	412	124	karplus	karplus	PROPN
admet-729	412	125	.	.	PUNCT
admet-729	412	126	charmm	charmm	PROPN
admet-729	412	127	:	:	PUNCT
admet-729	412	128	the	the	DET
admet-729	412	129	biomolecular	biomolecular	PROPN
admet-729	412	130	simulation	simulation	NOUN
admet-729	412	131	program	program	NOUN
admet-729	412	132	.	.	PUNCT
admet-729	413	1	j	j	PROPN
admet-729	413	2	comput	comput	PROPN
admet-729	413	3	chem	chem	PROPN
admet-729	413	4	.	.	PUNCT
admet-729	414	1	30	30	NUM
admet-729	414	2	(	(	PUNCT
admet-729	414	3	2010	2010	NUM
admet-729	414	4	)	)	PUNCT
admet-729	414	5	1545–1614	1545–1614	NUM
admet-729	414	6	.	.	PUNCT
admet-729	415	1	[	[	X
admet-729	415	2	38	38	NUM
admet-729	415	3	]	]	X
admet-729	415	4	m.r	m.r	PROPN
admet-729	415	5	.	.	PROPN
admet-729	415	6	wester	wester	PROPN
admet-729	415	7	,	,	PUNCT
admet-729	415	8	j.k	j.k	PROPN
admet-729	415	9	.	.	PROPN
admet-729	415	10	yano	yano	PROPN
admet-729	415	11	,	,	PUNCT
admet-729	415	12	g.a	g.a	PROPN
admet-729	415	13	.	.	PROPN
admet-729	415	14	schoch	schoch	PROPN
admet-729	415	15	,	,	PUNCT
admet-729	415	16	c.	c.	PROPN
admet-729	415	17	yang	yang	PROPN
admet-729	415	18	,	,	PUNCT
admet-729	415	19	k.j	k.j	PROPN
admet-729	415	20	.	.	PROPN
admet-729	415	21	griffin	griffin	PROPN
admet-729	415	22	,	,	PUNCT
admet-729	415	23	c.d	c.d	PROPN
admet-729	415	24	.	.	PROPN
admet-729	415	25	stout	stout	PROPN
admet-729	415	26	,	,	PUNCT
admet-729	415	27	e.f	e.f	PROPN
admet-729	415	28	.	.	PROPN
admet-729	415	29	johnson	johnson	PROPN
admet-729	415	30	.	.	PUNCT
admet-729	416	1	the	the	DET
admet-729	416	2	structure	structure	NOUN
admet-729	416	3	of	of	ADP
admet-729	416	4	human	human	ADJ
admet-729	416	5	cytochrome	cytochrome	NOUN
admet-729	416	6	p450	p450	PROPN
admet-729	416	7	2c9	2c9	NUM
admet-729	416	8	complexed	complexe	VERB
admet-729	416	9	with	with	ADP
admet-729	416	10	flurbiprofen	flurbiprofen	NOUN
admet-729	416	11	at	at	ADP
admet-729	416	12	2.0	2.0	NUM
admet-729	416	13	-	-	SYM
admet-729	416	14	å	å	NOUN
admet-729	416	15	resolution	resolution	NOUN
admet-729	416	16	.	.	PUNCT
admet-729	417	1	j.	j.	PROPN
admet-729	417	2	biol	biol	PROPN
admet-729	417	3	.	.	PUNCT
admet-729	418	1	chem	chem	NOUN
admet-729	418	2	.	.	PUNCT
admet-729	419	1	279	279	NUM
admet-729	419	2	(	(	PUNCT
admet-729	419	3	2004	2004	NUM
admet-729	419	4	)	)	PUNCT
admet-729	419	5	35630	35630	NUM
admet-729	419	6	-	-	SYM
admet-729	419	7	35637	35637	NUM
admet-729	419	8	.	.	PUNCT
admet-729	420	1	[	[	X
admet-729	420	2	39	39	NUM
admet-729	420	3	]	]	PUNCT
admet-729	420	4	r.	r.	PROPN
admet-729	420	5	raag	raag	PROPN
admet-729	420	6	,	,	PUNCT
admet-729	420	7	t.l	t.l	PROPN
admet-729	420	8	.	.	PUNCT
admet-729	420	9	poulos	poulos	PROPN
admet-729	420	10	.	.	PROPN
admet-729	421	1	crystal	crystal	NOUN
admet-729	421	2	structure	structure	NOUN
admet-729	421	3	of	of	ADP
admet-729	421	4	the	the	DET
admet-729	421	5	carbon	carbon	NOUN
admet-729	421	6	monoxide	monoxide	NOUN
admet-729	421	7	-	-	PUNCT
admet-729	421	8	substrate	substrate	NOUN
admet-729	421	9	-	-	PUNCT
admet-729	421	10	cytochrome	cytochrome	NOUN
admet-729	421	11	p-450cam	p-450cam	PROPN
admet-729	421	12	ternary	ternary	ADJ
admet-729	421	13	complex	complex	NOUN
admet-729	421	14	.	.	PUNCT
admet-729	422	1	biochemistry	biochemistry	NOUN
admet-729	422	2	28	28	NUM
admet-729	422	3	(	(	PUNCT
admet-729	422	4	1989	1989	NUM
admet-729	422	5	)	)	PUNCT
admet-729	422	6	7586	7586	NUM
admet-729	422	7	-	-	SYM
admet-729	422	8	7592	7592	NUM
admet-729	422	9	.	.	PUNCT
admet-729	423	1	[	[	X
admet-729	423	2	40	40	NUM
admet-729	423	3	]	]	X
admet-729	423	4	t.l	t.l	PROPN
admet-729	423	5	.	.	PUNCT
admet-729	423	6	poulos	poulos	PROPN
admet-729	423	7	,	,	PUNCT
admet-729	423	8	b.c	b.c	PROPN
admet-729	423	9	.	.	PROPN
admet-729	423	10	finzel	finzel	PROPN
admet-729	423	11	,	,	PUNCT
admet-729	423	12	a.j	a.j	PROPN
admet-729	423	13	.	.	PROPN
admet-729	423	14	howard	howard	PROPN
admet-729	423	15	.	.	PUNCT
admet-729	424	1	high	high	ADJ
admet-729	424	2	-	-	PUNCT
admet-729	424	3	resolution	resolution	NOUN
admet-729	424	4	crystal	crystal	NOUN
admet-729	424	5	structure	structure	NOUN
admet-729	424	6	of	of	ADP
admet-729	424	7	cytochrome	cytochrome	PROPN
admet-729	424	8	p450cam	p450cam	PROPN
admet-729	424	9	.	.	PUNCT
admet-729	425	1	j.	j.	PROPN
admet-729	425	2	mol	mol	PROPN
admet-729	425	3	.	.	PUNCT
admet-729	426	1	biol	biol	PROPN
admet-729	426	2	.	.	PUNCT
admet-729	427	1	195	195	NUM
admet-729	427	2	(	(	PUNCT
admet-729	427	3	1987	1987	NUM
admet-729	427	4	)	)	PUNCT
admet-729	427	5	687	687	NUM
admet-729	427	6	-	-	SYM
admet-729	427	7	700	700	NUM
admet-729	427	8	.	.	PUNCT
admet-729	428	1	©	©	SYM
admet-729	428	2	2019	2019	NUM
admet-729	428	3	by	by	ADP
admet-729	428	4	the	the	DET
admet-729	428	5	authors	author	NOUN
admet-729	428	6	;	;	PUNCT
admet-729	428	7	licensee	licensee	PROPN
admet-729	428	8	iapc	iapc	PROPN
admet-729	428	9	,	,	PUNCT
admet-729	428	10	zagreb	zagreb	PROPN
admet-729	428	11	,	,	PUNCT
admet-729	428	12	croatia	croatia	PROPN
admet-729	428	13	.	.	PUNCT
admet-729	429	1	this	this	DET
admet-729	429	2	article	article	NOUN
admet-729	429	3	is	be	AUX
admet-729	429	4	an	an	DET
admet-729	429	5	open	open	ADJ
admet-729	429	6	-	-	PUNCT
admet-729	429	7	access	access	NOUN
admet-729	429	8	article	article	NOUN
admet-729	429	9	distributed	distribute	VERB
admet-729	429	10	under	under	ADP
admet-729	429	11	the	the	DET
admet-729	429	12	terms	term	NOUN
admet-729	429	13	and	and	CCONJ
admet-729	429	14	conditions	condition	NOUN
admet-729	429	15	of	of	ADP
admet-729	429	16	the	the	DET
admet-729	429	17	creative	creative	ADJ
admet-729	429	18	commons	common	NOUN
admet-729	429	19	attribution	attribution	NOUN
admet-729	429	20	license	license	NOUN
admet-729	429	21	(	(	PUNCT
admet-729	429	22	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN
admet-729	429	23	)	)	PUNCT
admet-729	429	24	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN