id	sid	tid	token	lemma	pos
ecletica-165	1	1	original	original	ADJ
ecletica-165	1	2	article	article	NOUN
ecletica-165	1	3	iq.unesp.br/ecletica	iq.unesp.br/ecletica	PROPN
ecletica-165	1	4	|	|	ADV
ecletica-165	1	5	vol	vol	NOUN
ecletica-165	1	6	.	.	PUNCT
ecletica-165	2	1	43	43	NUM
ecletica-165	3	1	|	|	ADV
ecletica-165	3	2	n.	n.	NOUN
ecletica-165	3	3	3	3	NUM
ecletica-165	4	1	|	|	ADV
ecletica-165	4	2	2018	2018	NUM
ecletica-165	4	3	|	|	ADV
ecletica-165	5	1	10	10	NUM
ecletica-165	5	2	eclética	eclética	PROPN
ecletica-165	5	3	química	química	PROPN
ecletica-165	5	4	journal	journal	PROPN
ecletica-165	5	5	,	,	PUNCT
ecletica-165	5	6	vol	vol	NOUN
ecletica-165	5	7	.	.	PROPN
ecletica-165	5	8	43	43	NUM
ecletica-165	5	9	,	,	PUNCT
ecletica-165	5	10	n.	n.	NOUN
ecletica-165	5	11	3	3	NUM
ecletica-165	5	12	,	,	PUNCT
ecletica-165	5	13	2018	2018	NUM
ecletica-165	5	14	,	,	PUNCT
ecletica-165	5	15	10	10	NUM
ecletica-165	5	16	-	-	SYM
ecletica-165	5	17	18	18	NUM
ecletica-165	5	18	issn	issn	NOUN
ecletica-165	5	19	:	:	PUNCT
ecletica-165	5	20	1678	1678	NUM
ecletica-165	5	21	-	-	SYM
ecletica-165	5	22	4618	4618	NUM
ecletica-165	5	23	doi	doi	NOUN
ecletica-165	5	24	:	:	PUNCT
ecletica-165	5	25	10.26850/1678	10.26850/1678	NUM
ecletica-165	5	26	-	-	SYM
ecletica-165	5	27	4618eqj.v43.3.2018.p10	4618eqj.v43.3.2018.p10	NUM
ecletica-165	5	28	-	-	NUM
ecletica-165	5	29	18	18	NUM
ecletica-165	5	30	the	the	DET
ecletica-165	5	31	correlation	correlation	NOUN
ecletica-165	5	32	between	between	ADP
ecletica-165	5	33	electronic	electronic	ADJ
ecletica-165	5	34	structure	structure	NOUN
ecletica-165	5	35	and	and	CCONJ
ecletica-165	5	36	antitumor	antitumor	PROPN
ecletica-165	5	37	activity	activity	NOUN
ecletica-165	5	38	of	of	ADP
ecletica-165	5	39	a	a	DET
ecletica-165	5	40	selective	selective	ADJ
ecletica-165	5	41	focal	focal	ADJ
ecletica-165	5	42	adhesion	adhesion	NOUN
ecletica-165	5	43	kinase	kinase	NOUN
ecletica-165	5	44	inhibitors	inhibitor	NOUN
ecletica-165	5	45	daniel	daniel	PROPN
ecletica-165	5	46	augusto	augusto	PROPN
ecletica-165	5	47	barra	barra	PROPN
ecletica-165	5	48	de	de	X
ecletica-165	5	49	oliveira1	oliveira1	PROPN
ecletica-165	5	50	+	+	SYM
ecletica-165	5	51	1	1	NUM
ecletica-165	5	52	university	university	NOUN
ecletica-165	5	53	federal	federal	NOUN
ecletica-165	5	54	of	of	ADP
ecletica-165	5	55	tocantins	tocantin	NOUN
ecletica-165	5	56	,	,	PUNCT
ecletica-165	5	57	34	34	NUM
ecletica-165	5	58	dois	dois	PROPN
ecletica-165	5	59	st	st	PROPN
ecletica-165	5	60	.	.	PROPN
ecletica-165	5	61	,	,	PUNCT
ecletica-165	5	62	araguaína	araguaína	PROPN
ecletica-165	5	63	,	,	PUNCT
ecletica-165	5	64	tocantins	tocantins	PROPN
ecletica-165	5	65	,	,	PUNCT
ecletica-165	5	66	brazil	brazil	PROPN
ecletica-165	5	67	+	+	CCONJ
ecletica-165	5	68	corresponding	correspond	VERB
ecletica-165	5	69	author	author	NOUN
ecletica-165	5	70	:	:	PUNCT
ecletica-165	5	71	daniel	daniel	PROPN
ecletica-165	5	72	augusto	augusto	PROPN
ecletica-165	5	73	barra	barra	PROPN
ecletica-165	5	74	de	de	PROPN
ecletica-165	5	75	oliveira	oliveira	PROPN
ecletica-165	5	76	,	,	PUNCT
ecletica-165	5	77	phone	phone	NOUN
ecletica-165	5	78	:	:	PUNCT
ecletica-165	5	79	+55	+55	PROPN
ecletica-165	5	80	63	63	NUM
ecletica-165	5	81	99200	99200	NUM
ecletica-165	5	82	-	-	SYM
ecletica-165	5	83	7791	7791	NUM
ecletica-165	5	84	,	,	PUNCT
ecletica-165	5	85	e	e	NOUN
ecletica-165	5	86	-	-	NOUN
ecletica-165	5	87	mail	mail	NOUN
ecletica-165	5	88	address	address	NOUN
ecletica-165	5	89	:	:	PUNCT
ecletica-165	5	90	danielchem@uft.edu.br	danielchem@uft.edu.br	ADJ
ecletica-165	5	91	article	article	NOUN
ecletica-165	5	92	info	info	NOUN
ecletica-165	5	93	article	article	NOUN
ecletica-165	5	94	history	history	NOUN
ecletica-165	5	95	:	:	PUNCT
ecletica-165	5	96	received	receive	VERB
ecletica-165	5	97	:	:	PUNCT
ecletica-165	5	98	december	december	PROPN
ecletica-165	5	99	13	13	NUM
ecletica-165	5	100	,	,	PUNCT
ecletica-165	5	101	2017	2017	NUM
ecletica-165	5	102	accepted	accept	VERB
ecletica-165	5	103	:	:	PUNCT
ecletica-165	5	104	september	september	PROPN
ecletica-165	5	105	25	25	NUM
ecletica-165	5	106	,	,	PUNCT
ecletica-165	5	107	2018	2018	NUM
ecletica-165	5	108	published	publish	VERB
ecletica-165	5	109	:	:	PUNCT
ecletica-165	5	110	october	october	PROPN
ecletica-165	5	111	7	7	NUM
ecletica-165	5	112	,	,	PUNCT
ecletica-165	5	113	2018	2018	NUM
ecletica-165	5	114	keywords	keyword	NOUN
ecletica-165	5	115	:	:	PUNCT
ecletica-165	5	116	1	1	X
ecletica-165	5	117	.	.	X
ecletica-165	5	118	qm	qm	PROPN
ecletica-165	5	119	/	/	SYM
ecletica-165	5	120	mm	mm	PROPN
ecletica-165	5	121	2	2	NUM
ecletica-165	5	122	.	.	NOUN
ecletica-165	5	123	focal	focal	ADJ
ecletica-165	5	124	adhesion	adhesion	NOUN
ecletica-165	5	125	kinase	kinase	NOUN
ecletica-165	6	1	3	3	X
ecletica-165	6	2	.	.	X
ecletica-165	6	3	molecular	molecular	ADJ
ecletica-165	6	4	docking	docking	NOUN
ecletica-165	6	5	4	4	NUM
ecletica-165	6	6	.	.	PUNCT
ecletica-165	6	7	geometry	geometry	NOUN
ecletica-165	6	8	optimization	optimization	NOUN
ecletica-165	6	9	1	1	NUM
ecletica-165	6	10	.	.	PUNCT
ecletica-165	7	1	introduction	introduction	NOUN
ecletica-165	7	2	cancer	cancer	NOUN
ecletica-165	7	3	is	be	AUX
ecletica-165	7	4	a	a	DET
ecletica-165	7	5	disease	disease	NOUN
ecletica-165	7	6	whose	whose	DET
ecletica-165	7	7	feature	feature	NOUN
ecletica-165	7	8	is	be	AUX
ecletica-165	7	9	the	the	DET
ecletica-165	7	10	uncontrolled	uncontrolled	ADJ
ecletica-165	7	11	proliferation	proliferation	NOUN
ecletica-165	7	12	of	of	ADP
ecletica-165	7	13	cells	cell	NOUN
ecletica-165	7	14	,	,	PUNCT
ecletica-165	7	15	able	able	ADJ
ecletica-165	7	16	to	to	PART
ecletica-165	7	17	spread	spread	VERB
ecletica-165	7	18	to	to	ADP
ecletica-165	7	19	other	other	ADJ
ecletica-165	7	20	tissues	tissue	NOUN
ecletica-165	7	21	.	.	PUNCT
ecletica-165	8	1	cell	cell	NOUN
ecletica-165	8	2	proliferation	proliferation	NOUN
ecletica-165	8	3	is	be	AUX
ecletica-165	8	4	related	relate	VERB
ecletica-165	8	5	with	with	ADP
ecletica-165	8	6	the	the	DET
ecletica-165	8	7	biochemical	biochemical	ADJ
ecletica-165	8	8	process	process	NOUN
ecletica-165	8	9	known	know	VERB
ecletica-165	8	10	as	as	ADP
ecletica-165	8	11	signal	signal	ADJ
ecletica-165	8	12	transduction	transduction	NOUN
ecletica-165	8	13	.	.	PUNCT
ecletica-165	9	1	fak	fak	PROPN
ecletica-165	9	2	and	and	CCONJ
ecletica-165	9	3	other	other	ADJ
ecletica-165	9	4	kinases	kinase	NOUN
ecletica-165	9	5	are	be	AUX
ecletica-165	9	6	enzymes	enzyme	NOUN
ecletica-165	9	7	which	which	PRON
ecletica-165	9	8	catalyze	catalyze	VERB
ecletica-165	9	9	these	these	DET
ecletica-165	9	10	reactions	reaction	NOUN
ecletica-165	9	11	.	.	PUNCT
ecletica-165	10	1	during	during	ADP
ecletica-165	10	2	the	the	DET
ecletica-165	10	3	signal	signal	ADJ
ecletica-165	10	4	transduction	transduction	NOUN
ecletica-165	10	5	mechanism	mechanism	NOUN
ecletica-165	10	6	,	,	PUNCT
ecletica-165	10	7	chemical	chemical	NOUN
ecletica-165	10	8	signals	signal	NOUN
ecletica-165	10	9	provided	provide	VERB
ecletica-165	10	10	from	from	ADP
ecletica-165	10	11	cell	cell	NOUN
ecletica-165	10	12	exteriors	exterior	NOUN
ecletica-165	10	13	are	be	AUX
ecletica-165	10	14	converted	convert	VERB
ecletica-165	10	15	into	into	ADP
ecletica-165	10	16	physical	physical	ADJ
ecletica-165	10	17	responses	response	NOUN
ecletica-165	10	18	within	within	ADP
ecletica-165	10	19	the	the	DET
ecletica-165	10	20	cells1	cells1	ADJ
ecletica-165	10	21	-	-	PUNCT
ecletica-165	10	22	7	7	NUM
ecletica-165	10	23	.	.	NOUN
ecletica-165	10	24	focal	focal	ADJ
ecletica-165	10	25	adhesion	adhesion	NOUN
ecletica-165	10	26	kinase	kinase	NOUN
ecletica-165	10	27	(	(	PUNCT
ecletica-165	10	28	fak	fak	PROPN
ecletica-165	10	29	)	)	PUNCT
ecletica-165	10	30	is	be	AUX
ecletica-165	10	31	a	a	DET
ecletica-165	10	32	non	non	ADJ
ecletica-165	10	33	-	-	ADJ
ecletica-165	10	34	tyrosine	tyrosine	ADJ
ecletica-165	10	35	kinase	kinase	NOUN
ecletica-165	10	36	involved	involve	VERB
ecletica-165	10	37	in	in	ADP
ecletica-165	10	38	signal	signal	ADJ
ecletica-165	10	39	transduction	transduction	NOUN
ecletica-165	10	40	,	,	PUNCT
ecletica-165	10	41	which	which	PRON
ecletica-165	10	42	is	be	AUX
ecletica-165	10	43	the	the	DET
ecletica-165	10	44	chemical	chemical	NOUN
ecletica-165	10	45	process	process	NOUN
ecletica-165	10	46	associated	associate	VERB
ecletica-165	10	47	with	with	ADP
ecletica-165	10	48	the	the	DET
ecletica-165	10	49	development	development	NOUN
ecletica-165	10	50	of	of	ADP
ecletica-165	10	51	several	several	ADJ
ecletica-165	10	52	kinds	kind	NOUN
ecletica-165	10	53	of	of	ADP
ecletica-165	10	54	cancers8	cancers8	NOUN
ecletica-165	10	55	-	-	PUNCT
ecletica-165	10	56	14	14	NUM
ecletica-165	10	57	.	.	PUNCT
ecletica-165	11	1	consequently	consequently	ADV
ecletica-165	11	2	,	,	PUNCT
ecletica-165	11	3	the	the	DET
ecletica-165	11	4	study	study	NOUN
ecletica-165	11	5	of	of	ADP
ecletica-165	11	6	this	this	DET
ecletica-165	11	7	enzyme	enzyme	NOUN
ecletica-165	11	8	is	be	AUX
ecletica-165	11	9	essential	essential	ADJ
ecletica-165	11	10	to	to	PART
ecletica-165	11	11	design	design	VERB
ecletica-165	11	12	and	and	CCONJ
ecletica-165	11	13	synthesize	synthesize	VERB
ecletica-165	11	14	new	new	ADJ
ecletica-165	11	15	drugs	drug	NOUN
ecletica-165	11	16	against	against	ADP
ecletica-165	11	17	cancer	cancer	NOUN
ecletica-165	11	18	.	.	PUNCT
ecletica-165	12	1	fak	fak	PROPN
ecletica-165	12	2	acts	act	VERB
ecletica-165	12	3	in	in	ADP
ecletica-165	12	4	signal	signal	ADJ
ecletica-165	12	5	transduction	transduction	NOUN
ecletica-165	12	6	mechanism	mechanism	NOUN
ecletica-165	12	7	promoting	promote	VERB
ecletica-165	12	8	the	the	DET
ecletica-165	12	9	phosphorylation	phosphorylation	NOUN
ecletica-165	12	10	of	of	ADP
ecletica-165	12	11	serine	serine	NOUN
ecletica-165	12	12	and	and	CCONJ
ecletica-165	12	13	tyrosine	tyrosine	NOUN
ecletica-165	12	14	amino	amino	NOUN
ecletica-165	12	15	acids	acid	NOUN
ecletica-165	12	16	.	.	PUNCT
ecletica-165	13	1	therefore	therefore	ADV
ecletica-165	13	2	,	,	PUNCT
ecletica-165	13	3	new	new	ADJ
ecletica-165	13	4	drugs	drug	NOUN
ecletica-165	13	5	have	have	AUX
ecletica-165	13	6	been	be	AUX
ecletica-165	13	7	designed	design	VERB
ecletica-165	13	8	and	and	CCONJ
ecletica-165	13	9	synthesized	synthesize	VERB
ecletica-165	13	10	to	to	PART
ecletica-165	13	11	inhibit	inhibit	VERB
ecletica-165	13	12	the	the	DET
ecletica-165	13	13	phosphorylation	phosphorylation	NOUN
ecletica-165	13	14	of	of	ADP
ecletica-165	13	15	fak	fak	PROPN
ecletica-165	13	16	.	.	PUNCT
ecletica-165	14	1	the	the	DET
ecletica-165	14	2	basic	basic	ADJ
ecletica-165	14	3	chemical	chemical	NOUN
ecletica-165	14	4	structure	structure	NOUN
ecletica-165	14	5	of	of	ADP
ecletica-165	14	6	these	these	DET
ecletica-165	14	7	inhibitors	inhibitor	NOUN
ecletica-165	14	8	is	be	AUX
ecletica-165	14	9	the	the	DET
ecletica-165	14	10	adenine	adenine	ADJ
ecletica-165	14	11	ring	ring	NOUN
ecletica-165	14	12	that	that	PRON
ecletica-165	14	13	mimics	mimic	VERB
ecletica-165	14	14	the	the	DET
ecletica-165	14	15	atp	atp	NOUN
ecletica-165	14	16	molecule	molecule	NOUN
ecletica-165	14	17	.	.	PUNCT
ecletica-165	15	1	the	the	DET
ecletica-165	15	2	interactions	interaction	NOUN
ecletica-165	15	3	among	among	ADP
ecletica-165	15	4	the	the	DET
ecletica-165	15	5	amino	amino	NOUN
ecletica-165	15	6	acids	acid	NOUN
ecletica-165	15	7	in	in	ADP
ecletica-165	15	8	the	the	DET
ecletica-165	15	9	fak	fak	NOUN
ecletica-165	15	10	-	-	PUNCT
ecletica-165	15	11	binding	bind	VERB
ecletica-165	15	12	site	site	NOUN
ecletica-165	15	13	with	with	ADP
ecletica-165	15	14	different	different	ADJ
ecletica-165	15	15	inhibitors	inhibitor	NOUN
ecletica-165	15	16	have	have	VERB
ecletica-165	15	17	the	the	DET
ecletica-165	15	18	abstract	abstract	ADJ
ecletica-165	15	19	:	:	PUNCT
ecletica-165	15	20	focal	focal	ADJ
ecletica-165	15	21	adhesion	adhesion	NOUN
ecletica-165	15	22	kinase	kinase	NOUN
ecletica-165	15	23	(	(	PUNCT
ecletica-165	15	24	fak	fak	PROPN
ecletica-165	15	25	)	)	PUNCT
ecletica-165	15	26	is	be	AUX
ecletica-165	15	27	a	a	DET
ecletica-165	15	28	nontyrosine	nontyrosine	ADJ
ecletica-165	15	29	kinase	kinase	NOUN
ecletica-165	15	30	responsible	responsible	ADJ
ecletica-165	15	31	to	to	PART
ecletica-165	15	32	phosphorylate	phosphorylate	VERB
ecletica-165	15	33	other	other	ADJ
ecletica-165	15	34	enzymes	enzyme	NOUN
ecletica-165	15	35	associated	associate	VERB
ecletica-165	15	36	with	with	ADP
ecletica-165	15	37	signal	signal	ADJ
ecletica-165	15	38	transduction	transduction	NOUN
ecletica-165	15	39	.	.	PUNCT
ecletica-165	16	1	this	this	DET
ecletica-165	16	2	biochemical	biochemical	ADJ
ecletica-165	16	3	process	process	NOUN
ecletica-165	16	4	plays	play	VERB
ecletica-165	16	5	an	an	DET
ecletica-165	16	6	important	important	ADJ
ecletica-165	16	7	role	role	NOUN
ecletica-165	16	8	to	to	PART
ecletica-165	16	9	control	control	VERB
ecletica-165	16	10	cancer	cancer	NOUN
ecletica-165	16	11	.	.	PUNCT
ecletica-165	17	1	fak	fak	PROPN
ecletica-165	17	2	is	be	AUX
ecletica-165	17	3	found	find	VERB
ecletica-165	17	4	overexpressed	overexpresse	VERB
ecletica-165	17	5	in	in	ADP
ecletica-165	17	6	the	the	DET
ecletica-165	17	7	organism	organism	NOUN
ecletica-165	17	8	during	during	ADP
ecletica-165	17	9	metastasis	metastasis	NOUN
ecletica-165	17	10	.	.	PUNCT
ecletica-165	18	1	since	since	SCONJ
ecletica-165	18	2	fak	fak	PROPN
ecletica-165	18	3	may	may	AUX
ecletica-165	18	4	be	be	AUX
ecletica-165	18	5	involved	involve	VERB
ecletica-165	18	6	in	in	ADP
ecletica-165	18	7	the	the	DET
ecletica-165	18	8	invasion	invasion	NOUN
ecletica-165	18	9	and	and	CCONJ
ecletica-165	18	10	metastasis	metastasis	NOUN
ecletica-165	18	11	of	of	ADP
ecletica-165	18	12	cancer	cancer	NOUN
ecletica-165	18	13	,	,	PUNCT
ecletica-165	18	14	novel	novel	ADJ
ecletica-165	18	15	molecules	molecule	NOUN
ecletica-165	18	16	based	base	VERB
ecletica-165	18	17	on	on	ADP
ecletica-165	18	18	drug	drug	NOUN
ecletica-165	18	19	design	design	NOUN
ecletica-165	18	20	have	have	AUX
ecletica-165	18	21	been	be	AUX
ecletica-165	18	22	synthesized	synthesize	VERB
ecletica-165	18	23	over	over	ADP
ecletica-165	18	24	the	the	DET
ecletica-165	18	25	past	past	ADJ
ecletica-165	18	26	few	few	ADJ
ecletica-165	18	27	years	year	NOUN
ecletica-165	18	28	.	.	PUNCT
ecletica-165	19	1	the	the	DET
ecletica-165	19	2	inhibitors	inhibitor	NOUN
ecletica-165	19	3	are	be	AUX
ecletica-165	19	4	designed	design	VERB
ecletica-165	19	5	to	to	PART
ecletica-165	19	6	mimic	mimic	VERB
ecletica-165	19	7	the	the	DET
ecletica-165	19	8	natural	natural	ADJ
ecletica-165	19	9	substrate	substrate	NOUN
ecletica-165	19	10	which	which	PRON
ecletica-165	19	11	is	be	AUX
ecletica-165	19	12	the	the	DET
ecletica-165	19	13	atp	atp	NOUN
ecletica-165	19	14	molecule	molecule	NOUN
ecletica-165	19	15	.	.	PUNCT
ecletica-165	20	1	this	this	DET
ecletica-165	20	2	work	work	NOUN
ecletica-165	20	3	studied	study	VERB
ecletica-165	20	4	the	the	DET
ecletica-165	20	5	hydrogen	hydrogen	NOUN
ecletica-165	20	6	bonds	bond	NOUN
ecletica-165	20	7	performed	perform	VERB
ecletica-165	20	8	between	between	ADP
ecletica-165	20	9	inhibitors	inhibitor	NOUN
ecletica-165	20	10	and	and	CCONJ
ecletica-165	20	11	fak	fak	PROPN
ecletica-165	20	12	and	and	CCONJ
ecletica-165	20	13	other	other	ADJ
ecletica-165	20	14	electronic	electronic	ADJ
ecletica-165	20	15	properties	property	NOUN
ecletica-165	20	16	involved	involve	VERB
ecletica-165	20	17	in	in	ADP
ecletica-165	20	18	this	this	DET
ecletica-165	20	19	interaction	interaction	NOUN
ecletica-165	20	20	.	.	PUNCT
ecletica-165	21	1	the	the	DET
ecletica-165	21	2	molecular	molecular	ADJ
ecletica-165	21	3	structure	structure	NOUN
ecletica-165	21	4	of	of	ADP
ecletica-165	21	5	fak	fak	PROPN
ecletica-165	21	6	docked	dock	VERB
ecletica-165	21	7	with	with	ADP
ecletica-165	21	8	the	the	DET
ecletica-165	21	9	inhibitors	inhibitor	NOUN
ecletica-165	21	10	was	be	AUX
ecletica-165	21	11	simulated	simulate	VERB
ecletica-165	21	12	using	use	VERB
ecletica-165	21	13	classical	classical	ADJ
ecletica-165	21	14	molecular	molecular	ADJ
ecletica-165	21	15	dynamics	dynamic	NOUN
ecletica-165	21	16	.	.	PUNCT
ecletica-165	22	1	fak/	fak/	ADJ
ecletica-165	22	2	inhibitor	inhibitor	NOUN
ecletica-165	22	3	complex	complex	NOUN
ecletica-165	22	4	obtained	obtain	VERB
ecletica-165	22	5	by	by	ADP
ecletica-165	22	6	dynamic	dynamic	ADJ
ecletica-165	22	7	was	be	AUX
ecletica-165	22	8	optimized	optimize	VERB
ecletica-165	22	9	using	use	VERB
ecletica-165	22	10	quantum	quantum	PROPN
ecletica-165	22	11	mechanical	mechanical	ADJ
ecletica-165	22	12	ab	ab	PROPN
ecletica-165	22	13	-	-	PUNCT
ecletica-165	22	14	initio	initio	NOUN
ecletica-165	22	15	calculation	calculation	NOUN
ecletica-165	22	16	.	.	PUNCT
ecletica-165	23	1	our	our	PRON
ecletica-165	23	2	results	result	NOUN
ecletica-165	23	3	show	show	VERB
ecletica-165	23	4	that	that	SCONJ
ecletica-165	23	5	all	all	DET
ecletica-165	23	6	inhibitors	inhibitor	NOUN
ecletica-165	23	7	interact	interact	VERB
ecletica-165	23	8	with	with	ADP
ecletica-165	23	9	cys502	cys502	PROPN
ecletica-165	23	10	located	locate	VERB
ecletica-165	23	11	in	in	ADP
ecletica-165	23	12	the	the	DET
ecletica-165	23	13	fak	fak	NOUN
ecletica-165	23	14	-	-	PUNCT
ecletica-165	23	15	binding	bind	VERB
ecletica-165	23	16	site	site	NOUN
ecletica-165	23	17	.	.	PUNCT
ecletica-165	24	1	ab	ab	PROPN
ecletica-165	24	2	-	-	PUNCT
ecletica-165	24	3	initio	initio	NOUN
ecletica-165	24	4	calculations	calculation	NOUN
ecletica-165	24	5	show	show	VERB
ecletica-165	24	6	that	that	SCONJ
ecletica-165	24	7	homo	homo	NOUN
ecletica-165	24	8	orbital	orbital	NOUN
ecletica-165	24	9	is	be	AUX
ecletica-165	24	10	situated	situate	VERB
ecletica-165	24	11	under	under	ADP
ecletica-165	24	12	met499	met499	PROPN
ecletica-165	24	13	and	and	CCONJ
ecletica-165	24	14	glu500	glu500	VERB
ecletica-165	24	15	amino	amino	ADJ
ecletica-165	24	16	acids	acid	NOUN
ecletica-165	24	17	indicating	indicate	VERB
ecletica-165	24	18	chemical	chemical	ADJ
ecletica-165	24	19	reactivity	reactivity	NOUN
ecletica-165	24	20	in	in	ADP
ecletica-165	24	21	this	this	DET
ecletica-165	24	22	region	region	NOUN
ecletica-165	24	23	.	.	PUNCT
ecletica-165	25	1	the	the	DET
ecletica-165	25	2	results	result	NOUN
ecletica-165	25	3	of	of	ADP
ecletica-165	25	4	molecular	molecular	ADJ
ecletica-165	25	5	dynamics	dynamic	NOUN
ecletica-165	25	6	combined	combine	VERB
ecletica-165	25	7	with	with	ADP
ecletica-165	25	8	quantum	quantum	ADJ
ecletica-165	25	9	chemical	chemical	NOUN
ecletica-165	25	10	calculations	calculation	NOUN
ecletica-165	25	11	show	show	VERB
ecletica-165	25	12	that	that	SCONJ
ecletica-165	25	13	the	the	DET
ecletica-165	25	14	sulfonamide	sulfonamide	NOUN
ecletica-165	25	15	has	have	VERB
ecletica-165	25	16	a	a	DET
ecletica-165	25	17	strong	strong	ADJ
ecletica-165	25	18	hydrogen	hydrogen	NOUN
ecletica-165	25	19	bond	bond	NOUN
ecletica-165	25	20	with	with	ADP
ecletica-165	25	21	close	close	ADJ
ecletica-165	25	22	distances	distance	NOUN
ecletica-165	25	23	,	,	PUNCT
ecletica-165	25	24	while	while	SCONJ
ecletica-165	25	25	the	the	DET
ecletica-165	25	26	thiazole	thiazole	NOUN
ecletica-165	25	27	has	have	VERB
ecletica-165	25	28	a	a	DET
ecletica-165	25	29	weak	weak	ADJ
ecletica-165	25	30	hydrogen	hydrogen	NOUN
ecletica-165	25	31	bond	bond	NOUN
ecletica-165	25	32	with	with	ADP
ecletica-165	25	33	long	long	ADJ
ecletica-165	25	34	distances	distance	NOUN
ecletica-165	25	35	.	.	PUNCT
ecletica-165	26	1	sulfonamide	sulfonamide	NOUN
ecletica-165	26	2	has	have	AUX
ecletica-165	26	3	known	know	VERB
ecletica-165	26	4	good	good	ADJ
ecletica-165	26	5	activity	activity	NOUN
ecletica-165	26	6	against	against	ADP
ecletica-165	26	7	fak	fak	PROPN
ecletica-165	26	8	while	while	SCONJ
ecletica-165	26	9	the	the	DET
ecletica-165	26	10	thiazole	thiazole	NOUN
ecletica-165	26	11	molecule	molecule	NOUN
ecletica-165	26	12	has	have	VERB
ecletica-165	26	13	an	an	DET
ecletica-165	26	14	unknown	unknown	ADJ
ecletica-165	26	15	activity	activity	NOUN
ecletica-165	26	16	.	.	PUNCT
ecletica-165	27	1	these	these	DET
ecletica-165	27	2	results	result	NOUN
ecletica-165	27	3	allow	allow	VERB
ecletica-165	27	4	predicting	predict	VERB
ecletica-165	27	5	that	that	SCONJ
ecletica-165	27	6	the	the	DET
ecletica-165	27	7	molecule	molecule	NOUN
ecletica-165	27	8	of	of	ADP
ecletica-165	27	9	thiazole	thiazole	NOUN
ecletica-165	27	10	is	be	AUX
ecletica-165	27	11	a	a	DET
ecletica-165	27	12	not	not	PART
ecletica-165	27	13	good	good	ADJ
ecletica-165	27	14	inhibitor	inhibitor	NOUN
ecletica-165	27	15	to	to	ADP
ecletica-165	27	16	fak	fak	PROPN
ecletica-165	27	17	inhibition	inhibition	NOUN
ecletica-165	27	18	.	.	PUNCT
ecletica-165	28	1	http://revista.iq.unesp.br/ojs/index.php/ecletica/index	http://revista.iq.unesp.br/ojs/index.php/ecletica/index	NOUN
ecletica-165	28	2	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	PROPN
ecletica-165	28	3	mailto:danielchem@uft.edu.br	mailto:danielchem@uft.edu.br	VERB
ecletica-165	28	4	http://orcid.org/0000-0002-7300-9052	http://orcid.org/0000-0002-7300-9052	PROPN
ecletica-165	28	5	original	original	ADJ
ecletica-165	28	6	article	article	NOUN
ecletica-165	28	7	11	11	NUM
ecletica-165	28	8	eclética	eclética	PROPN
ecletica-165	28	9	química	química	PROPN
ecletica-165	28	10	journal	journal	PROPN
ecletica-165	28	11	,	,	PUNCT
ecletica-165	28	12	vol	vol	NOUN
ecletica-165	28	13	.	.	PROPN
ecletica-165	28	14	43	43	NUM
ecletica-165	28	15	,	,	PUNCT
ecletica-165	28	16	n.	n.	NOUN
ecletica-165	28	17	3	3	NUM
ecletica-165	28	18	,	,	PUNCT
ecletica-165	28	19	2018	2018	NUM
ecletica-165	28	20	,	,	PUNCT
ecletica-165	28	21	10	10	NUM
ecletica-165	28	22	-	-	SYM
ecletica-165	28	23	18	18	NUM
ecletica-165	28	24	issn	issn	NOUN
ecletica-165	28	25	:	:	PUNCT
ecletica-165	28	26	1678	1678	NUM
ecletica-165	28	27	-	-	SYM
ecletica-165	28	28	4618	4618	NUM
ecletica-165	28	29	doi	doi	NOUN
ecletica-165	28	30	:	:	PUNCT
ecletica-165	28	31	10.26850/1678	10.26850/1678	NUM
ecletica-165	28	32	-	-	SYM
ecletica-165	28	33	4618eqj.v43.3.2018.p10	4618eqj.v43.3.2018.p10	NUM
ecletica-165	28	34	-	-	PUNCT
ecletica-165	28	35	18	18	NUM
ecletica-165	28	36	same	same	ADJ
ecletica-165	28	37	pattern	pattern	NOUN
ecletica-165	28	38	of	of	ADP
ecletica-165	28	39	hydrogen	hydrogen	NOUN
ecletica-165	28	40	bonds	bond	NOUN
ecletica-165	28	41	,	,	PUNCT
ecletica-165	28	42	even	even	ADV
ecletica-165	28	43	in	in	ADP
ecletica-165	28	44	the	the	DET
ecletica-165	28	45	case	case	NOUN
ecletica-165	28	46	of	of	ADP
ecletica-165	28	47	quite	quite	ADV
ecletica-165	28	48	different	different	ADJ
ecletica-165	28	49	chemical	chemical	NOUN
ecletica-165	28	50	structure	structure	NOUN
ecletica-165	28	51	of	of	ADP
ecletica-165	28	52	inhibitors15,16	inhibitors15,16	NOUN
ecletica-165	28	53	.	.	PUNCT
ecletica-165	29	1	these	these	DET
ecletica-165	29	2	chemical	chemical	ADJ
ecletica-165	29	3	changes	change	NOUN
ecletica-165	29	4	in	in	ADP
ecletica-165	29	5	the	the	DET
ecletica-165	29	6	structure	structure	NOUN
ecletica-165	29	7	allow	allow	VERB
ecletica-165	29	8	the	the	DET
ecletica-165	29	9	drugs	drug	NOUN
ecletica-165	29	10	have	have	VERB
ecletica-165	29	11	different	different	ADJ
ecletica-165	29	12	biological	biological	ADJ
ecletica-165	29	13	responses	response	NOUN
ecletica-165	29	14	against	against	ADP
ecletica-165	29	15	the	the	DET
ecletica-165	29	16	cancer	cancer	NOUN
ecletica-165	29	17	.	.	PUNCT
ecletica-165	30	1	pyrrolopyrimidine	pyrrolopyrimidine	NOUN
ecletica-165	30	2	inhibitor	inhibitor	NOUN
ecletica-165	30	3	has	have	AUX
ecletica-165	30	4	been	be	AUX
ecletica-165	30	5	synthesized	synthesize	VERB
ecletica-165	30	6	in	in	ADP
ecletica-165	30	7	order	order	NOUN
ecletica-165	30	8	to	to	PART
ecletica-165	30	9	interact	interact	VERB
ecletica-165	30	10	with	with	ADP
ecletica-165	30	11	arg426	arg426	PROPN
ecletica-165	30	12	,	,	PUNCT
ecletica-165	30	13	cys502	cys502	PROPN
ecletica-165	30	14	and	and	CCONJ
ecletica-165	30	15	lys545	lys545	PROPN
ecletica-165	30	16	in	in	ADP
ecletica-165	30	17	fak	fak	PROPN
ecletica-165	30	18	binding	binding	PROPN
ecletica-165	30	19	site17	site17	NOUN
ecletica-165	30	20	.	.	PUNCT
ecletica-165	31	1	the	the	DET
ecletica-165	31	2	pdb	pdb	PROPN
ecletica-165	31	3	i	i	PROPN
ecletica-165	31	4	d	d	PROPN
ecletica-165	31	5	3bz3	3bz3	NUM
ecletica-165	31	6	ligand	ligand	NOUN
ecletica-165	31	7	(	(	PUNCT
ecletica-165	31	8	c21	c21	PROPN
ecletica-165	31	9	h20	h20	PROPN
ecletica-165	31	10	f3	f3	PROPN
ecletica-165	31	11	n7	n7	PROPN
ecletica-165	31	12	o3	o3	PROPN
ecletica-165	31	13	s)16	s)16	PROPN
ecletica-165	31	14	and	and	CCONJ
ecletica-165	31	15	i	i	PROPN
ecletica-165	31	16	d	d	PROPN
ecletica-165	31	17	pdb	pdb	PROPN
ecletica-165	31	18	3pxk	3pxk	NUM
ecletica-165	31	19	ligand	ligand	NOUN
ecletica-165	31	20	(	(	PUNCT
ecletica-165	31	21	c12	c12	NOUN
ecletica-165	31	22	h14	h14	NOUN
ecletica-165	31	23	n2	n2	ADJ
ecletica-165	31	24	s)15	s)15	NOUN
ecletica-165	31	25	are	be	AUX
ecletica-165	31	26	examples	example	NOUN
ecletica-165	31	27	of	of	ADP
ecletica-165	31	28	molecules	molecule	NOUN
ecletica-165	31	29	that	that	PRON
ecletica-165	31	30	have	have	VERB
ecletica-165	31	31	different	different	ADJ
ecletica-165	31	32	molecular	molecular	ADJ
ecletica-165	31	33	structures	structure	NOUN
ecletica-165	31	34	and	and	CCONJ
ecletica-165	31	35	different	different	ADJ
ecletica-165	31	36	ways	way	NOUN
ecletica-165	31	37	to	to	PART
ecletica-165	31	38	inhibit	inhibit	VERB
ecletica-165	31	39	fak	fak	PROPN
ecletica-165	31	40	phosphorylation	phosphorylation	NOUN
ecletica-165	31	41	.	.	PUNCT
ecletica-165	32	1	pdb	pdb	PROPN
ecletica-165	33	1	i	i	PROPN
ecletica-165	33	2	d	d	PROPN
ecletica-165	33	3	3bz3	3bz3	NUM
ecletica-165	33	4	ligand	ligand	NOUN
ecletica-165	33	5	is	be	AUX
ecletica-165	33	6	a	a	DET
ecletica-165	33	7	potent	potent	ADJ
ecletica-165	33	8	atp	atp	NOUN
ecletica-165	33	9	inhibitor	inhibitor	NOUN
ecletica-165	33	10	that	that	PRON
ecletica-165	33	11	shows	show	VERB
ecletica-165	33	12	inhibition	inhibition	NOUN
ecletica-165	33	13	against	against	ADP
ecletica-165	33	14	fak	fak	NOUN
ecletica-165	33	15	in	in	ADP
ecletica-165	33	16	the	the	DET
ecletica-165	33	17	cellular	cellular	ADJ
ecletica-165	33	18	environment	environment	NOUN
ecletica-165	33	19	.	.	PUNCT
ecletica-165	34	1	this	this	DET
ecletica-165	34	2	molecule	molecule	NOUN
ecletica-165	34	3	is	be	AUX
ecletica-165	34	4	an	an	DET
ecletica-165	34	5	atp	atp	NOUN
ecletica-165	34	6	-	-	PUNCT
ecletica-165	34	7	competitive	competitive	ADJ
ecletica-165	34	8	,	,	PUNCT
ecletica-165	34	9	reversible	reversible	ADJ
ecletica-165	34	10	inhibitor	inhibitor	NOUN
ecletica-165	34	11	of	of	ADP
ecletica-165	34	12	fak	fak	PROPN
ecletica-165	34	13	and	and	CCONJ
ecletica-165	34	14	pyk2	pyk2	NOUN
ecletica-165	34	15	catalytic	catalytic	ADJ
ecletica-165	34	16	activity	activity	NOUN
ecletica-165	34	17	with	with	ADP
ecletica-165	34	18	an	an	DET
ecletica-165	34	19	ic50	ic50	PROPN
ecletica-165	34	20	of	of	ADP
ecletica-165	34	21	1.5	1.5	NUM
ecletica-165	34	22	and	and	CCONJ
ecletica-165	34	23	14	14	NUM
ecletica-165	34	24	nmol	nmol	PROPN
ecletica-165	34	25	l-1	l-1	NOUN
ecletica-165	34	26	,	,	PUNCT
ecletica-165	34	27	respectively	respectively	ADV
ecletica-165	34	28	.	.	PUNCT
ecletica-165	35	1	antitumor	antitumor	PROPN
ecletica-165	35	2	efficacy	efficacy	NOUN
ecletica-165	35	3	and	and	CCONJ
ecletica-165	35	4	regressions	regression	NOUN
ecletica-165	35	5	were	be	AUX
ecletica-165	35	6	observed	observe	VERB
ecletica-165	35	7	in	in	ADP
ecletica-165	35	8	multiple	multiple	ADJ
ecletica-165	35	9	human	human	ADJ
ecletica-165	35	10	xenograft	xenograft	NOUN
ecletica-165	35	11	models	model	NOUN
ecletica-165	35	12	for	for	ADP
ecletica-165	35	13	pdb	pdb	PROPN
ecletica-165	35	14	i	i	PROPN
ecletica-165	35	15	d	d	PROPN
ecletica-165	35	16	3bz3	3bz3	NUM
ecletica-165	35	17	ligand	ligand	NOUN
ecletica-165	35	18	.	.	PUNCT
ecletica-165	36	1	this	this	DET
ecletica-165	36	2	drug	drug	NOUN
ecletica-165	36	3	has	have	VERB
ecletica-165	36	4	applications	application	NOUN
ecletica-165	36	5	on	on	ADP
ecletica-165	36	6	the	the	DET
ecletica-165	36	7	colon	colon	NOUN
ecletica-165	36	8	and	and	CCONJ
ecletica-165	36	9	lung	lung	NOUN
ecletica-165	36	10	cancer	cancer	NOUN
ecletica-165	36	11	while	while	SCONJ
ecletica-165	36	12	the	the	DET
ecletica-165	36	13	i	i	PROPN
ecletica-165	36	14	d	d	PROPN
ecletica-165	36	15	pdb	pdb	PROPN
ecletica-165	36	16	3pxk	3pxk	NUM
ecletica-165	36	17	ligand	ligand	NOUN
ecletica-165	36	18	(	(	PUNCT
ecletica-165	36	19	c12	c12	PROPN
ecletica-165	36	20	h14	h14	NOUN
ecletica-165	36	21	n2	n2	PROPN
ecletica-165	36	22	s	s	PART
ecletica-165	36	23	)	)	PUNCT
ecletica-165	36	24	can	can	AUX
ecletica-165	36	25	induce	induce	VERB
ecletica-165	36	26	apoptosis	apoptosis	NOUN
ecletica-165	36	27	in	in	ADP
ecletica-165	36	28	different	different	ADJ
ecletica-165	36	29	tumor	tumor	NOUN
ecletica-165	36	30	lines	line	NOUN
ecletica-165	36	31	.	.	PUNCT
ecletica-165	37	1	the	the	DET
ecletica-165	37	2	differences	difference	NOUN
ecletica-165	37	3	of	of	ADP
ecletica-165	37	4	biological	biological	ADJ
ecletica-165	37	5	activity	activity	NOUN
ecletica-165	37	6	are	be	AUX
ecletica-165	37	7	linked	link	VERB
ecletica-165	37	8	to	to	ADP
ecletica-165	37	9	the	the	DET
ecletica-165	37	10	molecular	molecular	ADJ
ecletica-165	37	11	structure	structure	NOUN
ecletica-165	37	12	of	of	ADP
ecletica-165	37	13	inhibitors	inhibitor	NOUN
ecletica-165	37	14	docked	dock	VERB
ecletica-165	37	15	in	in	ADP
ecletica-165	37	16	the	the	DET
ecletica-165	37	17	binding	bind	VERB
ecletica-165	37	18	site	site	NOUN
ecletica-165	37	19	.	.	PUNCT
ecletica-165	38	1	theoretical	theoretical	ADJ
ecletica-165	38	2	calculations	calculation	NOUN
ecletica-165	38	3	permit	permit	VERB
ecletica-165	38	4	to	to	PART
ecletica-165	38	5	explore	explore	VERB
ecletica-165	38	6	the	the	DET
ecletica-165	38	7	interactions	interaction	NOUN
ecletica-165	38	8	among	among	ADP
ecletica-165	38	9	the	the	DET
ecletica-165	38	10	amino	amino	NOUN
ecletica-165	38	11	acids	acid	NOUN
ecletica-165	38	12	in	in	ADP
ecletica-165	38	13	the	the	DET
ecletica-165	38	14	fakbinding	fakbinde	VERB
ecletica-165	38	15	site	site	NOUN
ecletica-165	38	16	with	with	ADP
ecletica-165	38	17	different	different	ADJ
ecletica-165	38	18	inhibitors	inhibitor	NOUN
ecletica-165	38	19	.	.	PUNCT
ecletica-165	39	1	dynamical	dynamical	ADJ
ecletica-165	39	2	calculation	calculation	NOUN
ecletica-165	39	3	can	can	AUX
ecletica-165	39	4	show	show	VERB
ecletica-165	39	5	the	the	DET
ecletica-165	39	6	possible	possible	ADJ
ecletica-165	39	7	hydrogen	hydrogen	NOUN
ecletica-165	39	8	bonds	bond	NOUN
ecletica-165	39	9	performed	perform	VERB
ecletica-165	39	10	by	by	ADP
ecletica-165	39	11	the	the	DET
ecletica-165	39	12	inhibitors	inhibitor	NOUN
ecletica-165	39	13	while	while	SCONJ
ecletica-165	39	14	quantum	quantum	ADJ
ecletica-165	39	15	mechanical	mechanical	ADJ
ecletica-165	39	16	calculation	calculation	NOUN
ecletica-165	39	17	can	can	AUX
ecletica-165	39	18	describe	describe	VERB
ecletica-165	39	19	important	important	ADJ
ecletica-165	39	20	electronic	electronic	ADJ
ecletica-165	39	21	properties	property	NOUN
ecletica-165	39	22	.	.	PUNCT
ecletica-165	40	1	in	in	ADP
ecletica-165	40	2	this	this	DET
ecletica-165	40	3	work	work	NOUN
ecletica-165	40	4	,	,	PUNCT
ecletica-165	40	5	we	we	PRON
ecletica-165	40	6	described	describe	VERB
ecletica-165	40	7	the	the	DET
ecletica-165	40	8	pattern	pattern	NOUN
ecletica-165	40	9	of	of	ADP
ecletica-165	40	10	hydrogen	hydrogen	NOUN
ecletica-165	40	11	bonds	bond	NOUN
ecletica-165	40	12	at	at	ADP
ecletica-165	40	13	the	the	DET
ecletica-165	40	14	catalytic	catalytic	ADJ
ecletica-165	40	15	site	site	NOUN
ecletica-165	40	16	using	use	VERB
ecletica-165	40	17	molecular	molecular	ADJ
ecletica-165	40	18	dynamics	dynamic	NOUN
ecletica-165	40	19	and	and	CCONJ
ecletica-165	40	20	quantum	quantum	ADJ
ecletica-165	40	21	mechanical	mechanical	ADJ
ecletica-165	40	22	calculations	calculation	NOUN
ecletica-165	40	23	in	in	ADP
ecletica-165	40	24	order	order	NOUN
ecletica-165	40	25	to	to	PART
ecletica-165	40	26	understand	understand	VERB
ecletica-165	40	27	how	how	SCONJ
ecletica-165	40	28	these	these	DET
ecletica-165	40	29	hydrogen	hydrogen	NOUN
ecletica-165	40	30	bonds	bond	NOUN
ecletica-165	40	31	are	be	AUX
ecletica-165	40	32	linked	link	VERB
ecletica-165	40	33	to	to	ADP
ecletica-165	40	34	the	the	DET
ecletica-165	40	35	fak	fak	NOUN
ecletica-165	40	36	inhibition	inhibition	NOUN
ecletica-165	40	37	.	.	PUNCT
ecletica-165	41	1	2	2	X
ecletica-165	41	2	.	.	X
ecletica-165	41	3	materials	material	NOUN
ecletica-165	41	4	and	and	CCONJ
ecletica-165	41	5	methods	method	NOUN
ecletica-165	41	6	2.1	2.1	NUM
ecletica-165	41	7	quantum	quantum	NOUN
ecletica-165	41	8	chemical	chemical	NOUN
ecletica-165	41	9	and	and	CCONJ
ecletica-165	41	10	molecular	molecular	ADJ
ecletica-165	41	11	dynamic	dynamic	ADJ
ecletica-165	41	12	calculations	calculation	NOUN
ecletica-165	41	13	x	x	NOUN
ecletica-165	41	14	-	-	NOUN
ecletica-165	41	15	ray	ray	NOUN
ecletica-165	41	16	molecular	molecular	ADJ
ecletica-165	41	17	structure	structure	NOUN
ecletica-165	41	18	based	base	VERB
ecletica-165	41	19	on	on	ADP
ecletica-165	41	20	pdb	pdb	PROPN
ecletica-165	41	21	i	i	PROPN
ecletica-165	41	22	d	d	PROPN
ecletica-165	41	23	3bz316	3bz316	NUM
ecletica-165	41	24	,	,	PUNCT
ecletica-165	41	25	3pxk15	3pxk15	NUM
ecletica-165	41	26	,	,	PUNCT
ecletica-165	41	27	and	and	CCONJ
ecletica-165	41	28	2ijm18	2ijm18	PROPN
ecletica-165	41	29	were	be	AUX
ecletica-165	41	30	used	use	VERB
ecletica-165	41	31	as	as	ADP
ecletica-165	41	32	initial	initial	ADJ
ecletica-165	41	33	geometry	geometry	NOUN
ecletica-165	41	34	to	to	PART
ecletica-165	41	35	describe	describe	VERB
ecletica-165	41	36	the	the	DET
ecletica-165	41	37	interaction	interaction	NOUN
ecletica-165	41	38	of	of	ADP
ecletica-165	41	39	the	the	DET
ecletica-165	41	40	methane	methane	NOUN
ecletica-165	41	41	sulfonamide	sulfonamide	NOUN
ecletica-165	41	42	diaminopyrimidine	diaminopyrimidine	NOUN
ecletica-165	41	43	,	,	PUNCT
ecletica-165	41	44	pyrrolo[2,3d]thiazole	pyrrolo[2,3d]thiazole	NOUN
ecletica-165	41	45	and	and	CCONJ
ecletica-165	41	46	atp	atp	NOUN
ecletica-165	41	47	respectively	respectively	ADV
ecletica-165	41	48	.	.	PUNCT
ecletica-165	42	1	one	one	NUM
ecletica-165	42	2	nanosecond	nanosecond	NOUN
ecletica-165	42	3	of	of	ADP
ecletica-165	42	4	molecular	molecular	ADJ
ecletica-165	42	5	dynamics	dynamic	NOUN
ecletica-165	42	6	was	be	AUX
ecletica-165	42	7	performed	perform	VERB
ecletica-165	42	8	to	to	PART
ecletica-165	42	9	search	search	VERB
ecletica-165	42	10	possible	possible	ADJ
ecletica-165	42	11	hydrogen	hydrogen	NOUN
ecletica-165	42	12	bonds	bond	NOUN
ecletica-165	42	13	.	.	PUNCT
ecletica-165	43	1	this	this	DET
ecletica-165	43	2	simulation	simulation	NOUN
ecletica-165	43	3	was	be	AUX
ecletica-165	43	4	calculated	calculate	VERB
ecletica-165	43	5	using	use	VERB
ecletica-165	43	6	the	the	DET
ecletica-165	43	7	program	program	NOUN
ecletica-165	43	8	hyperchem19	hyperchem19	NOUN
ecletica-165	43	9	.	.	PUNCT
ecletica-165	44	1	an	an	DET
ecletica-165	44	2	implicit	implicit	ADJ
ecletica-165	44	3	solvent	solvent	NOUN
ecletica-165	44	4	with	with	ADP
ecletica-165	44	5	dielectric	dielectric	ADJ
ecletica-165	44	6	constant	constant	ADJ
ecletica-165	44	7	equal	equal	ADJ
ecletica-165	44	8	to	to	ADP
ecletica-165	44	9	80	80	NUM
ecletica-165	44	10	was	be	AUX
ecletica-165	44	11	used	use	VERB
ecletica-165	44	12	in	in	ADP
ecletica-165	44	13	order	order	NOUN
ecletica-165	44	14	to	to	PART
ecletica-165	44	15	simulate	simulate	VERB
ecletica-165	44	16	the	the	DET
ecletica-165	44	17	water	water	NOUN
ecletica-165	44	18	solvent	solvent	NOUN
ecletica-165	44	19	.	.	PUNCT
ecletica-165	45	1	the	the	DET
ecletica-165	45	2	constant	constant	ADJ
ecletica-165	45	3	temperature	temperature	NOUN
ecletica-165	45	4	of	of	ADP
ecletica-165	45	5	300	300	NUM
ecletica-165	45	6	k	k	NOUN
ecletica-165	45	7	was	be	AUX
ecletica-165	45	8	used	use	VERB
ecletica-165	45	9	during	during	ADP
ecletica-165	45	10	the	the	DET
ecletica-165	45	11	simulation	simulation	NOUN
ecletica-165	45	12	and	and	CCONJ
ecletica-165	45	13	nve	nve	PROPN
ecletica-165	45	14	ensemble	ensemble	ADJ
ecletica-165	45	15	was	be	AUX
ecletica-165	45	16	used	use	VERB
ecletica-165	45	17	.	.	PUNCT
ecletica-165	46	1	molecular	molecular	ADJ
ecletica-165	46	2	optimization	optimization	NOUN
ecletica-165	46	3	with	with	ADP
ecletica-165	46	4	the	the	DET
ecletica-165	46	5	force	force	NOUN
ecletica-165	46	6	field	field	NOUN
ecletica-165	46	7	charm20	charm20	PROPN
ecletica-165	46	8	was	be	AUX
ecletica-165	46	9	performed	perform	VERB
ecletica-165	46	10	in	in	ADP
ecletica-165	46	11	order	order	NOUN
ecletica-165	46	12	to	to	PART
ecletica-165	46	13	avoid	avoid	VERB
ecletica-165	46	14	atom	atom	NOUN
ecletica-165	46	15	superimposition	superimposition	NOUN
ecletica-165	46	16	before	before	ADP
ecletica-165	46	17	the	the	DET
ecletica-165	46	18	molecular	molecular	ADJ
ecletica-165	46	19	dynamics	dynamic	NOUN
ecletica-165	46	20	using	use	VERB
ecletica-165	46	21	a	a	DET
ecletica-165	46	22	steepest	steep	ADJ
ecletica-165	46	23	decent	decent	ADJ
ecletica-165	46	24	algorithm	algorithm	NOUN
ecletica-165	46	25	.	.	PUNCT
ecletica-165	47	1	swissparam21	swissparam21	PROPN
ecletica-165	47	2	was	be	AUX
ecletica-165	47	3	used	use	VERB
ecletica-165	47	4	to	to	PART
ecletica-165	47	5	provide	provide	VERB
ecletica-165	47	6	parameters	parameter	NOUN
ecletica-165	47	7	and	and	CCONJ
ecletica-165	47	8	topologies	topology	NOUN
ecletica-165	47	9	for	for	ADP
ecletica-165	47	10	the	the	DET
ecletica-165	47	11	ligands	ligand	NOUN
ecletica-165	47	12	.	.	PUNCT
ecletica-165	48	1	pair	pair	NOUN
ecletica-165	48	2	correlation	correlation	NOUN
ecletica-165	48	3	function	function	NOUN
ecletica-165	48	4	was	be	AUX
ecletica-165	48	5	calculated	calculate	VERB
ecletica-165	48	6	to	to	ADP
ecletica-165	48	7	hydrogen	hydrogen	NOUN
ecletica-165	48	8	bonds	bond	NOUN
ecletica-165	48	9	inside	inside	ADP
ecletica-165	48	10	the	the	DET
ecletica-165	48	11	catalytic	catalytic	ADJ
ecletica-165	48	12	site	site	NOUN
ecletica-165	48	13	.	.	PUNCT
ecletica-165	49	1	chelpg	chelpg	PROPN
ecletica-165	49	2	charge	charge	VERB
ecletica-165	49	3	derivative	derivative	NOUN
ecletica-165	49	4	of	of	ADP
ecletica-165	49	5	hf/6	hf/6	NOUN
ecletica-165	49	6	-	-	SYM
ecletica-165	49	7	31	31	NUM
ecletica-165	49	8	g	g	NOUN
ecletica-165	49	9	was	be	AUX
ecletica-165	49	10	used	use	VERB
ecletica-165	49	11	to	to	PART
ecletica-165	49	12	describe	describe	VERB
ecletica-165	49	13	atomic	atomic	ADJ
ecletica-165	49	14	charge	charge	NOUN
ecletica-165	49	15	for	for	ADP
ecletica-165	49	16	the	the	DET
ecletica-165	49	17	inhibitor	inhibitor	NOUN
ecletica-165	49	18	inside	inside	ADP
ecletica-165	49	19	the	the	DET
ecletica-165	49	20	catalytic	catalytic	ADJ
ecletica-165	49	21	site	site	NOUN
ecletica-165	49	22	for	for	ADP
ecletica-165	49	23	dynamic	dynamic	ADJ
ecletica-165	49	24	calculation	calculation	NOUN
ecletica-165	49	25	.	.	PUNCT
ecletica-165	50	1	molecular	molecular	ADJ
ecletica-165	50	2	dynamic	dynamic	NOUN
ecletica-165	50	3	was	be	AUX
ecletica-165	50	4	used	use	VERB
ecletica-165	50	5	to	to	PART
ecletica-165	50	6	search	search	VERB
ecletica-165	50	7	different	different	ADJ
ecletica-165	50	8	hydrogen	hydrogen	NOUN
ecletica-165	50	9	bonds	bond	NOUN
ecletica-165	50	10	.	.	PUNCT
ecletica-165	51	1	quantum	quantum	ADJ
ecletica-165	51	2	chemical	chemical	NOUN
ecletica-165	51	3	calculations	calculation	NOUN
ecletica-165	51	4	were	be	AUX
ecletica-165	51	5	used	use	VERB
ecletica-165	51	6	to	to	PART
ecletica-165	51	7	describe	describe	VERB
ecletica-165	51	8	the	the	DET
ecletica-165	51	9	hydrogen	hydrogen	NOUN
ecletica-165	51	10	bonds	bond	NOUN
ecletica-165	51	11	present	present	ADJ
ecletica-165	51	12	in	in	ADP
ecletica-165	51	13	the	the	DET
ecletica-165	51	14	fak	fak	NOUN
ecletica-165	51	15	inhibitors	inhibitor	NOUN
ecletica-165	51	16	interaction	interaction	NOUN
ecletica-165	51	17	.	.	PUNCT
ecletica-165	52	1	the	the	DET
ecletica-165	52	2	oniom22	oniom22	PROPN
ecletica-165	52	3	-	-	PUNCT
ecletica-165	52	4	25	25	NUM
ecletica-165	52	5	method	method	NOUN
ecletica-165	52	6	,	,	PUNCT
ecletica-165	52	7	present	present	ADJ
ecletica-165	52	8	in	in	ADP
ecletica-165	52	9	a	a	DET
ecletica-165	52	10	gaussian	gaussian	ADJ
ecletica-165	52	11	program	program	NOUN
ecletica-165	52	12	,	,	PUNCT
ecletica-165	52	13	was	be	AUX
ecletica-165	52	14	used	use	VERB
ecletica-165	52	15	to	to	PART
ecletica-165	52	16	describe	describe	VERB
ecletica-165	52	17	the	the	DET
ecletica-165	52	18	molecular	molecular	ADJ
ecletica-165	52	19	structures	structure	NOUN
ecletica-165	52	20	cited	cite	VERB
ecletica-165	52	21	above	above	ADV
ecletica-165	52	22	.	.	PUNCT
ecletica-165	53	1	in	in	ADP
ecletica-165	53	2	order	order	NOUN
ecletica-165	53	3	to	to	PART
ecletica-165	53	4	depict	depict	VERB
ecletica-165	53	5	the	the	DET
ecletica-165	53	6	higher	high	ADJ
ecletica-165	53	7	layer	layer	NOUN
ecletica-165	53	8	,	,	PUNCT
ecletica-165	53	9	the	the	DET
ecletica-165	53	10	amino	amino	NOUN
ecletica-165	53	11	acids	acids	PROPN
ecletica-165	53	12	cys502	cys502	PROPN
ecletica-165	53	13	,	,	PUNCT
ecletica-165	53	14	lys454	lys454	PROPN
ecletica-165	53	15	,	,	PUNCT
ecletica-165	53	16	met499	met499	PROPN
ecletica-165	53	17	,	,	PUNCT
ecletica-165	53	18	arg426	arg426	PROPN
ecletica-165	53	19	,	,	PUNCT
ecletica-165	53	20	ala452	ala452	PROPN
ecletica-165	53	21	,	,	PUNCT
ecletica-165	53	22	glu506	glu506	NOUN
ecletica-165	53	23	,	,	PUNCT
ecletica-165	53	24	glu471	glu471	PROPN
ecletica-165	53	25	,	,	PUNCT
ecletica-165	53	26	arg508	arg508	PROPN
ecletica-165	53	27	,	,	PUNCT
ecletica-165	53	28	arg550	arg550	PROPN
ecletica-165	53	29	,	,	PUNCT
ecletica-165	53	30	asp564	asp564	PROPN
ecletica-165	53	31	,	,	PUNCT
ecletica-165	53	32	leu501	leu501	PROPN
ecletica-165	53	33	,	,	PUNCT
ecletica-165	53	34	glu430	glu430	PROPN
ecletica-165	53	35	and	and	CCONJ
ecletica-165	53	36	thr60517	thr60517	NOUN
ecletica-165	53	37	were	be	AUX
ecletica-165	53	38	selected	select	VERB
ecletica-165	53	39	from	from	ADP
ecletica-165	53	40	molecular	molecular	ADJ
ecletica-165	53	41	dynamic	dynamic	ADJ
ecletica-165	53	42	results	result	NOUN
ecletica-165	53	43	.	.	PUNCT
ecletica-165	54	1	the	the	DET
ecletica-165	54	2	quantum	quantum	ADJ
ecletica-165	54	3	mechanical	mechanical	ADJ
ecletica-165	54	4	calculations	calculation	NOUN
ecletica-165	54	5	based	base	VERB
ecletica-165	54	6	on	on	ADP
ecletica-165	54	7	pm6	pm6	NOUN
ecletica-165	54	8	,	,	PUNCT
ecletica-165	54	9	b3lyp/631	b3lyp/631	NOUN
ecletica-165	54	10	g	g	NOUN
ecletica-165	54	11	,	,	PUNCT
ecletica-165	54	12	hf/6	hf/6	NOUN
ecletica-165	54	13	-	-	PUNCT
ecletica-165	54	14	31	31	NUM
ecletica-165	54	15	g	g	NOUN
ecletica-165	54	16	,	,	PUNCT
ecletica-165	54	17	rmndo	rmndo	PROPN
ecletica-165	54	18	were	be	AUX
ecletica-165	54	19	employed	employ	VERB
ecletica-165	54	20	in	in	ADP
ecletica-165	54	21	the	the	DET
ecletica-165	54	22	higher	high	ADJ
ecletica-165	54	23	layer	layer	NOUN
ecletica-165	54	24	that	that	PRON
ecletica-165	54	25	was	be	AUX
ecletica-165	54	26	optimized	optimize	VERB
ecletica-165	54	27	using	use	VERB
ecletica-165	54	28	the	the	DET
ecletica-165	54	29	keyword	keyword	NOUN
ecletica-165	54	30	quadmac25	quadmac25	NOUN
ecletica-165	54	31	.	.	PUNCT
ecletica-165	55	1	this	this	DET
ecletica-165	55	2	keyword	keyword	NOUN
ecletica-165	55	3	does	do	VERB
ecletica-165	55	4	a	a	DET
ecletica-165	55	5	quadratic	quadratic	ADJ
ecletica-165	55	6	step	step	NOUN
ecletica-165	55	7	in	in	ADP
ecletica-165	55	8	the	the	DET
ecletica-165	55	9	coordinates	coordinate	NOUN
ecletica-165	55	10	of	of	ADP
ecletica-165	55	11	all	all	DET
ecletica-165	55	12	the	the	DET
ecletica-165	55	13	atoms	atom	NOUN
ecletica-165	55	14	.	.	PUNCT
ecletica-165	56	1	uff	uff	PROPN
ecletica-165	56	2	(	(	PUNCT
ecletica-165	56	3	universal	universal	ADJ
ecletica-165	56	4	force	force	NOUN
ecletica-165	56	5	field	field	NOUN
ecletica-165	56	6	)	)	PUNCT
ecletica-165	56	7	was	be	AUX
ecletica-165	56	8	used	use	VERB
ecletica-165	56	9	in	in	ADP
ecletica-165	56	10	order	order	NOUN
ecletica-165	56	11	to	to	PART
ecletica-165	56	12	describe	describe	VERB
ecletica-165	56	13	the	the	DET
ecletica-165	56	14	vander	vander	NOUN
ecletica-165	56	15	walls	wall	NOUN
ecletica-165	56	16	and	and	CCONJ
ecletica-165	56	17	electrostatic	electrostatic	ADJ
ecletica-165	56	18	potential	potential	NOUN
ecletica-165	56	19	for	for	ADP
ecletica-165	56	20	the	the	DET
ecletica-165	56	21	atoms	atom	NOUN
ecletica-165	56	22	in	in	ADP
ecletica-165	56	23	the	the	DET
ecletica-165	56	24	lower	low	ADJ
ecletica-165	56	25	layer	layer	NOUN
ecletica-165	56	26	.	.	PUNCT
ecletica-165	57	1	qeq26	qeq26	PROPN
ecletica-165	57	2	method	method	NOUN
ecletica-165	57	3	was	be	AUX
ecletica-165	57	4	used	use	VERB
ecletica-165	57	5	to	to	PART
ecletica-165	57	6	get	get	VERB
ecletica-165	57	7	the	the	DET
ecletica-165	57	8	charges	charge	NOUN
ecletica-165	57	9	for	for	ADP
ecletica-165	57	10	uff27	uff27	ADJ
ecletica-165	57	11	force	force	NOUN
ecletica-165	57	12	field	field	NOUN
ecletica-165	57	13	.	.	PUNCT
ecletica-165	58	1	molecular	molecular	ADJ
ecletica-165	58	2	frontier	frontier	NOUN
ecletica-165	58	3	orbitals	orbital	NOUN
ecletica-165	58	4	were	be	AUX
ecletica-165	58	5	calculated	calculate	VERB
ecletica-165	58	6	using	use	VERB
ecletica-165	58	7	hf	hf	PROPN
ecletica-165	58	8	ab	ab	PROPN
ecletica-165	58	9	-	-	PUNCT
ecletica-165	58	10	initio	initio	NOUN
ecletica-165	58	11	method	method	NOUN
ecletica-165	58	12	.	.	PUNCT
ecletica-165	59	1	the	the	DET
ecletica-165	59	2	hydrogen	hydrogen	NOUN
ecletica-165	59	3	bond	bond	NOUN
ecletica-165	59	4	energies	energy	NOUN
ecletica-165	59	5	were	be	AUX
ecletica-165	59	6	investigated	investigate	VERB
ecletica-165	59	7	with	with	ADP
ecletica-165	59	8	electronic	electronic	ADJ
ecletica-165	59	9	calculation	calculation	NOUN
ecletica-165	59	10	mp2	mp2	NOUN
ecletica-165	59	11	and	and	CCONJ
ecletica-165	59	12	the	the	DET
ecletica-165	59	13	base	base	NOUN
ecletica-165	59	14	function	function	VERB
ecletica-165	59	15	6	6	NUM
ecletica-165	59	16	-	-	SYM
ecletica-165	59	17	31	31	NUM
ecletica-165	59	18	g	g	NOUN
ecletica-165	59	19	+	+	PROPN
ecletica-165	59	20	+	+	CCONJ
ecletica-165	59	21	(	(	PUNCT
ecletica-165	59	22	d	d	NOUN
ecletica-165	59	23	,	,	PUNCT
ecletica-165	59	24	p	p	NOUN
ecletica-165	59	25	)	)	PUNCT
ecletica-165	59	26	coupled	couple	VERB
ecletica-165	59	27	to	to	ADP
ecletica-165	59	28	the	the	DET
ecletica-165	59	29	cpcm	cpcm	ADJ
ecletica-165	59	30	method	method	NOUN
ecletica-165	59	31	for	for	ADP
ecletica-165	59	32	water	water	NOUN
ecletica-165	59	33	solvent	solvent	NOUN
ecletica-165	59	34	.	.	PUNCT
ecletica-165	60	1	the	the	DET
ecletica-165	60	2	strength	strength	NOUN
ecletica-165	60	3	of	of	ADP
ecletica-165	60	4	the	the	DET
ecletica-165	60	5	hydrogen	hydrogen	NOUN
ecletica-165	60	6	bonds	bond	NOUN
ecletica-165	60	7	was	be	AUX
ecletica-165	60	8	investigated	investigate	VERB
ecletica-165	60	9	using	use	VERB
ecletica-165	60	10	the	the	DET
ecletica-165	60	11	interaction	interaction	NOUN
ecletica-165	60	12	energy	energy	NOUN
ecletica-165	60	13	between	between	ADP
ecletica-165	60	14	the	the	DET
ecletica-165	60	15	inhibitors	inhibitor	NOUN
ecletica-165	60	16	and	and	CCONJ
ecletica-165	60	17	the	the	DET
ecletica-165	60	18	amino	amino	NOUN
ecletica-165	60	19	acid	acid	NOUN
ecletica-165	60	20	.	.	PUNCT
ecletica-165	61	1	3	3	X
ecletica-165	61	2	.	.	NOUN
ecletica-165	61	3	results	result	NOUN
ecletica-165	61	4	and	and	CCONJ
ecletica-165	61	5	discussion	discussion	NOUN
ecletica-165	61	6	3.1	3.1	NUM
ecletica-165	61	7	quantum	quantum	NOUN
ecletica-165	61	8	optimizations	optimization	NOUN
ecletica-165	61	9	hf	hf	VERB
ecletica-165	61	10	6	6	NUM
ecletica-165	61	11	-	-	SYM
ecletica-165	61	12	31	31	NUM
ecletica-165	61	13	g	g	NOUN
ecletica-165	61	14	was	be	AUX
ecletica-165	61	15	the	the	DET
ecletica-165	61	16	method	method	NOUN
ecletica-165	61	17	used	use	VERB
ecletica-165	61	18	to	to	PART
ecletica-165	61	19	describe	describe	VERB
ecletica-165	61	20	the	the	DET
ecletica-165	61	21	hydrogen	hydrogen	NOUN
ecletica-165	61	22	bonds	bond	NOUN
ecletica-165	61	23	and	and	CCONJ
ecletica-165	61	24	other	other	ADJ
ecletica-165	61	25	interactions	interaction	NOUN
ecletica-165	61	26	for	for	ADP
ecletica-165	61	27	all	all	DET
ecletica-165	61	28	inhibitors	inhibitor	NOUN
ecletica-165	61	29	,	,	PUNCT
ecletica-165	61	30	because	because	SCONJ
ecletica-165	61	31	other	other	ADJ
ecletica-165	61	32	methods	method	NOUN
ecletica-165	61	33	did	do	AUX
ecletica-165	61	34	not	not	PART
ecletica-165	61	35	perform	perform	VERB
ecletica-165	61	36	a	a	DET
ecletica-165	61	37	full	full	ADJ
ecletica-165	61	38	convergence	convergence	NOUN
ecletica-165	61	39	of	of	ADP
ecletica-165	61	40	biological	biological	ADJ
ecletica-165	61	41	systems	system	NOUN
ecletica-165	61	42	studied	study	VERB
ecletica-165	61	43	.	.	PUNCT
ecletica-165	62	1	successive	successive	ADJ
ecletica-165	62	2	errors	error	NOUN
ecletica-165	62	3	associated	associate	VERB
ecletica-165	62	4	with	with	ADP
ecletica-165	62	5	internal	internal	ADJ
ecletica-165	62	6	coordinates	coordinate	NOUN
ecletica-165	62	7	and	and	CCONJ
ecletica-165	62	8	the	the	DET
ecletica-165	62	9	dihedral	dihedral	ADJ
ecletica-165	62	10	angles	angle	NOUN
ecletica-165	62	11	were	be	AUX
ecletica-165	62	12	observed	observe	VERB
ecletica-165	62	13	for	for	SCONJ
ecletica-165	62	14	the	the	DET
ecletica-165	62	15	methods	method	NOUN
ecletica-165	62	16	pm6	pm6	VERB
ecletica-165	62	17	and	and	CCONJ
ecletica-165	62	18	b3lyp/6	b3lyp/6	NOUN
ecletica-165	62	19	-	-	PROPN
ecletica-165	62	20	31	31	NUM
ecletica-165	62	21	g.	g.	NOUN
ecletica-165	62	22	mndo	mndo	NOUN
ecletica-165	62	23	semi	semi	ADJ
ecletica-165	62	24	-	-	ADJ
ecletica-165	62	25	empirical	empirical	ADJ
ecletica-165	62	26	method	method	NOUN
ecletica-165	62	27	performed	perform	VERB
ecletica-165	62	28	a	a	DET
ecletica-165	62	29	full	full	ADJ
ecletica-165	62	30	optimization	optimization	NOUN
ecletica-165	62	31	for	for	ADP
ecletica-165	62	32	the	the	DET
ecletica-165	62	33	entire	entire	ADJ
ecletica-165	62	34	biological	biological	ADJ
ecletica-165	62	35	system	system	NOUN
ecletica-165	62	36	,	,	PUNCT
ecletica-165	62	37	but	but	CCONJ
ecletica-165	62	38	it	it	PRON
ecletica-165	62	39	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	VERB
ecletica-165	62	40	original	original	ADJ
ecletica-165	62	41	article	article	NOUN
ecletica-165	62	42	12	12	NUM
ecletica-165	62	43	eclética	eclética	PROPN
ecletica-165	62	44	química	química	PROPN
ecletica-165	62	45	journal	journal	PROPN
ecletica-165	62	46	,	,	PUNCT
ecletica-165	62	47	vol	vol	NOUN
ecletica-165	62	48	.	.	PROPN
ecletica-165	62	49	43	43	NUM
ecletica-165	62	50	,	,	PUNCT
ecletica-165	62	51	n.	n.	NOUN
ecletica-165	62	52	3	3	NUM
ecletica-165	62	53	,	,	PUNCT
ecletica-165	62	54	2018	2018	NUM
ecletica-165	62	55	,	,	PUNCT
ecletica-165	62	56	10	10	NUM
ecletica-165	62	57	-	-	SYM
ecletica-165	62	58	18	18	NUM
ecletica-165	62	59	issn	issn	NOUN
ecletica-165	62	60	:	:	PUNCT
ecletica-165	62	61	1678	1678	NUM
ecletica-165	62	62	-	-	SYM
ecletica-165	62	63	4618	4618	NUM
ecletica-165	62	64	doi	doi	NOUN
ecletica-165	62	65	:	:	PUNCT
ecletica-165	62	66	10.26850/1678	10.26850/1678	NUM
ecletica-165	62	67	-	-	SYM
ecletica-165	62	68	4618eqj.v43.3.2018.p10	4618eqj.v43.3.2018.p10	NUM
ecletica-165	62	69	-	-	SYM
ecletica-165	62	70	18	18	NUM
ecletica-165	62	71	is	be	AUX
ecletica-165	62	72	a	a	DET
ecletica-165	62	73	less	less	ADV
ecletica-165	62	74	robust	robust	ADJ
ecletica-165	62	75	approach	approach	NOUN
ecletica-165	62	76	when	when	SCONJ
ecletica-165	62	77	compared	compare	VERB
ecletica-165	62	78	with	with	ADP
ecletica-165	62	79	hf	hf	PROPN
ecletica-165	62	80	approach	approach	NOUN
ecletica-165	62	81	.	.	PUNCT
ecletica-165	63	1	therefore	therefore	ADV
ecletica-165	63	2	,	,	PUNCT
ecletica-165	63	3	the	the	DET
ecletica-165	63	4	combination	combination	NOUN
ecletica-165	63	5	hf	hf	X
ecletica-165	63	6	6	6	NUM
ecletica-165	63	7	-	-	SYM
ecletica-165	63	8	31	31	NUM
ecletica-165	63	9	g	g	NOUN
ecletica-165	63	10	and	and	CCONJ
ecletica-165	63	11	uff	uff	PROPN
ecletica-165	63	12	were	be	AUX
ecletica-165	63	13	used	use	VERB
ecletica-165	63	14	to	to	PART
ecletica-165	63	15	obtain	obtain	VERB
ecletica-165	63	16	the	the	DET
ecletica-165	63	17	equilibrium	equilibrium	NOUN
ecletica-165	63	18	geometry	geometry	NOUN
ecletica-165	63	19	of	of	ADP
ecletica-165	63	20	the	the	DET
ecletica-165	63	21	system	system	NOUN
ecletica-165	63	22	fak	fak	NOUN
ecletica-165	63	23	docked	dock	VERB
ecletica-165	63	24	with	with	ADP
ecletica-165	63	25	all	all	DET
ecletica-165	63	26	the	the	DET
ecletica-165	63	27	inhibitors	inhibitor	NOUN
ecletica-165	63	28	.	.	PUNCT
ecletica-165	64	1	the	the	DET
ecletica-165	64	2	hydrogen	hydrogen	NOUN
ecletica-165	64	3	bonds	bond	NOUN
ecletica-165	64	4	in	in	ADP
ecletica-165	64	5	the	the	DET
ecletica-165	64	6	binding	bind	VERB
ecletica-165	64	7	site	site	NOUN
ecletica-165	64	8	obtained	obtain	VERB
ecletica-165	64	9	from	from	ADP
ecletica-165	64	10	oniom	oniom	NOUN
ecletica-165	64	11	calculations	calculation	NOUN
ecletica-165	64	12	are	be	AUX
ecletica-165	64	13	shown	show	VERB
ecletica-165	64	14	in	in	ADP
ecletica-165	64	15	figure	figure	NOUN
ecletica-165	64	16	1	1	NUM
ecletica-165	64	17	.	.	PUNCT
ecletica-165	64	18	figure	figure	NOUN
ecletica-165	64	19	1	1	NUM
ecletica-165	64	20	.	.	PUNCT
ecletica-165	65	1	hydrogen	hydrogen	NOUN
ecletica-165	65	2	bonds	bond	NOUN
ecletica-165	65	3	performed	perform	VERB
ecletica-165	65	4	by	by	ADP
ecletica-165	65	5	the	the	DET
ecletica-165	65	6	inhibitors	inhibitor	NOUN
ecletica-165	65	7	and	and	CCONJ
ecletica-165	65	8	the	the	DET
ecletica-165	65	9	atp	atp	NOUN
ecletica-165	65	10	molecule	molecule	NOUN
ecletica-165	65	11	after	after	ADP
ecletica-165	65	12	oniom	oniom	PROPN
ecletica-165	65	13	optimization	optimization	NOUN
ecletica-165	65	14	.	.	PUNCT
ecletica-165	66	1	the	the	DET
ecletica-165	66	2	hydrogen	hydrogen	NOUN
ecletica-165	66	3	bonds	bond	NOUN
ecletica-165	66	4	formed	form	VERB
ecletica-165	66	5	are	be	AUX
ecletica-165	66	6	similar	similar	ADJ
ecletica-165	66	7	to	to	ADP
ecletica-165	66	8	all	all	DET
ecletica-165	66	9	inhibitors	inhibitor	NOUN
ecletica-165	66	10	.	.	PUNCT
ecletica-165	67	1	sulfonamide	sulfonamide	NOUN
ecletica-165	67	2	and	and	CCONJ
ecletica-165	67	3	the	the	DET
ecletica-165	67	4	thiazole	thiazole	NOUN
ecletica-165	67	5	molecule	molecule	NOUN
ecletica-165	67	6	perform	perform	VERB
ecletica-165	67	7	hydrogen	hydrogen	NOUN
ecletica-165	67	8	bonds	bond	NOUN
ecletica-165	67	9	with	with	ADP
ecletica-165	67	10	the	the	DET
ecletica-165	67	11	amino	amino	NOUN
ecletica-165	67	12	acid	acid	PROPN
ecletica-165	67	13	cys502	cys502	PROPN
ecletica-165	67	14	.	.	PUNCT
ecletica-165	68	1	the	the	DET
ecletica-165	68	2	thiazole	thiazole	NOUN
ecletica-165	68	3	molecule	molecule	NOUN
ecletica-165	68	4	has	have	VERB
ecletica-165	68	5	a	a	DET
ecletica-165	68	6	single	single	ADJ
ecletica-165	68	7	interaction	interaction	NOUN
ecletica-165	68	8	with	with	ADP
ecletica-165	68	9	the	the	DET
ecletica-165	68	10	cys502	cys502	PROPN
ecletica-165	68	11	amine	amine	PROPN
ecletica-165	68	12	group	group	NOUN
ecletica-165	68	13	with	with	ADP
ecletica-165	68	14	2.5	2.5	NUM
ecletica-165	68	15	å	å	NOUN
ecletica-165	68	16	of	of	ADP
ecletica-165	68	17	distance	distance	NOUN
ecletica-165	68	18	.	.	PUNCT
ecletica-165	69	1	sulfonamide	sulfonamide	NOUN
ecletica-165	69	2	performs	perform	VERB
ecletica-165	69	3	two	two	NUM
ecletica-165	69	4	hydrogen	hydrogen	NOUN
ecletica-165	69	5	bonds	bond	NOUN
ecletica-165	69	6	with	with	ADP
ecletica-165	69	7	cys502	cys502	PROPN
ecletica-165	69	8	amino	amino	NOUN
ecletica-165	69	9	group	group	NOUN
ecletica-165	69	10	with	with	ADP
ecletica-165	69	11	2.3	2.3	NUM
ecletica-165	69	12	å	å	NOUN
ecletica-165	69	13	and	and	CCONJ
ecletica-165	69	14	other	other	ADJ
ecletica-165	69	15	bond	bond	NOUN
ecletica-165	69	16	with	with	ADP
ecletica-165	69	17	hydroxyl	hydroxyl	PROPN
ecletica-165	69	18	group	group	NOUN
ecletica-165	69	19	at	at	ADP
ecletica-165	69	20	1.9	1.9	NUM
ecletica-165	69	21	å	å	PROPN
ecletica-165	69	22	of	of	ADP
ecletica-165	69	23	distance	distance	NOUN
ecletica-165	69	24	.	.	PUNCT
ecletica-165	70	1	the	the	DET
ecletica-165	70	2	cys502	cys502	PROPN
ecletica-165	70	3	hydrogen	hydrogen	NOUN
ecletica-165	70	4	bond	bond	NOUN
ecletica-165	70	5	has	have	AUX
ecletica-165	70	6	been	be	AUX
ecletica-165	70	7	seen	see	VERB
ecletica-165	70	8	on	on	ADP
ecletica-165	70	9	others	other	NOUN
ecletica-165	70	10	fak	fak	NOUN
ecletica-165	70	11	inhibitors	inhibitor	NOUN
ecletica-165	70	12	in	in	ADP
ecletica-165	70	13	accord	accord	NOUN
ecletica-165	70	14	to	to	PART
ecletica-165	70	15	literature17	literature17	NOUN
ecletica-165	70	16	.	.	PUNCT
ecletica-165	71	1	amber	amber	PROPN
ecletica-165	71	2	force	force	PROPN
ecletica-165	71	3	field	field	NOUN
ecletica-165	71	4	optimization	optimization	NOUN
ecletica-165	71	5	for	for	ADP
ecletica-165	71	6	7	7	NUM
ecletica-165	71	7	-	-	PUNCT
ecletica-165	71	8	hpirrolopirimidine	hpirrolopirimidine	NOUN
ecletica-165	71	9	shows	show	VERB
ecletica-165	71	10	a	a	DET
ecletica-165	71	11	hydrogen	hydrogen	NOUN
ecletica-165	71	12	bond	bond	NOUN
ecletica-165	71	13	with	with	ADP
ecletica-165	71	14	a	a	DET
ecletica-165	71	15	cys502	cys502	PROPN
ecletica-165	71	16	amino	amino	NOUN
ecletica-165	71	17	group	group	NOUN
ecletica-165	71	18	with	with	ADP
ecletica-165	71	19	2.15	2.15	NUM
ecletica-165	71	20	å	å	NOUN
ecletica-165	71	21	of	of	ADP
ecletica-165	71	22	distance	distance	NOUN
ecletica-165	71	23	.	.	PUNCT
ecletica-165	72	1	quantum	quantum	ADJ
ecletica-165	72	2	mechanical	mechanical	ADJ
ecletica-165	72	3	calculation	calculation	NOUN
ecletica-165	72	4	did	do	AUX
ecletica-165	72	5	not	not	PART
ecletica-165	72	6	show	show	VERB
ecletica-165	72	7	this	this	DET
ecletica-165	72	8	hydrogen	hydrogen	NOUN
ecletica-165	72	9	bond	bond	NOUN
ecletica-165	72	10	to	to	ADP
ecletica-165	72	11	the	the	DET
ecletica-165	72	12	atp	atp	NOUN
ecletica-165	72	13	molecule	molecule	NOUN
ecletica-165	72	14	.	.	PUNCT
ecletica-165	73	1	sulfonamide	sulfonamide	NOUN
ecletica-165	73	2	drug	drug	NOUN
ecletica-165	73	3	can	can	AUX
ecletica-165	73	4	interact	interact	VERB
ecletica-165	73	5	yet	yet	ADV
ecletica-165	73	6	with	with	ADP
ecletica-165	73	7	the	the	DET
ecletica-165	73	8	arg426	arg426	PROPN
ecletica-165	73	9	amino	amino	PROPN
ecletica-165	73	10	group	group	NOUN
ecletica-165	73	11	with	with	ADP
ecletica-165	73	12	a	a	DET
ecletica-165	73	13	distance	distance	NOUN
ecletica-165	73	14	of	of	ADP
ecletica-165	73	15	1.9	1.9	NUM
ecletica-165	73	16	å	å	NOUN
ecletica-165	73	17	.	.	PUNCT
ecletica-165	74	1	this	this	DET
ecletica-165	74	2	hydrogen	hydrogen	NOUN
ecletica-165	74	3	bond	bond	NOUN
ecletica-165	74	4	is	be	AUX
ecletica-165	74	5	found	find	VERB
ecletica-165	74	6	in	in	ADP
ecletica-165	74	7	7	7	NUM
ecletica-165	74	8	-	-	PUNCT
ecletica-165	74	9	h	h	NOUN
ecletica-165	74	10	-	-	PUNCT
ecletica-165	74	11	pyrrolopyrimidine	pyrrolopyrimidine	NOUN
ecletica-165	74	12	inhibitors	inhibitor	NOUN
ecletica-165	74	13	.	.	PUNCT
ecletica-165	75	1	the	the	DET
ecletica-165	75	2	hydrogen	hydrogen	NOUN
ecletica-165	75	3	bond	bond	NOUN
ecletica-165	75	4	with	with	ADP
ecletica-165	75	5	asp424	asp424	PROPN
ecletica-165	75	6	is	be	AUX
ecletica-165	75	7	found	find	VERB
ecletica-165	75	8	in	in	ADP
ecletica-165	75	9	the	the	DET
ecletica-165	75	10	7	7	NUM
ecletica-165	75	11	-	-	PUNCT
ecletica-165	75	12	hpyrrolopyrimidine	hpyrrolopyrimidine	NOUN
ecletica-165	75	13	inhibitor	inhibitor	NOUN
ecletica-165	75	14	32	32	NUM
ecletica-165	75	15	,	,	PUNCT
ecletica-165	75	16	which	which	PRON
ecletica-165	75	17	has	have	VERB
ecletica-165	75	18	the	the	DET
ecletica-165	75	19	best	good	ADJ
ecletica-165	75	20	ic50	ic50	PROPN
ecletica-165	75	21	between	between	ADP
ecletica-165	75	22	pyrrolopyrimidine	pyrrolopyrimidine	NOUN
ecletica-165	75	23	drugs17	drugs17	NOUN
ecletica-165	75	24	.	.	PUNCT
ecletica-165	76	1	atp	atp	PROPN
ecletica-165	76	2	is	be	AUX
ecletica-165	76	3	a	a	DET
ecletica-165	76	4	special	special	ADJ
ecletica-165	76	5	case	case	NOUN
ecletica-165	76	6	.	.	PUNCT
ecletica-165	77	1	there	there	PRON
ecletica-165	77	2	are	be	VERB
ecletica-165	77	3	hydrogen	hydrogen	NOUN
ecletica-165	77	4	bonds	bond	NOUN
ecletica-165	77	5	with	with	ADP
ecletica-165	77	6	gln432	gln432	PROPN
ecletica-165	77	7	and	and	CCONJ
ecletica-165	77	8	glu500	glu500	PROPN
ecletica-165	77	9	that	that	PRON
ecletica-165	77	10	happen	happen	VERB
ecletica-165	77	11	with	with	ADP
ecletica-165	77	12	the	the	DET
ecletica-165	77	13	adenine	adenine	ADJ
ecletica-165	77	14	ring	ring	NOUN
ecletica-165	77	15	.	.	PUNCT
ecletica-165	78	1	on	on	ADP
ecletica-165	78	2	the	the	DET
ecletica-165	78	3	other	other	ADJ
ecletica-165	78	4	hand	hand	NOUN
ecletica-165	78	5	,	,	PUNCT
ecletica-165	78	6	phosphate	phosphate	ADJ
ecletica-165	78	7	groups	group	NOUN
ecletica-165	78	8	interact	interact	VERB
ecletica-165	78	9	with	with	ADP
ecletica-165	78	10	the	the	DET
ecletica-165	78	11	amino	amino	NOUN
ecletica-165	78	12	acids	acid	NOUN
ecletica-165	78	13	lys454	lys454	PROPN
ecletica-165	78	14	and	and	CCONJ
ecletica-165	78	15	met499	met499	PROPN
ecletica-165	78	16	.	.	PUNCT
ecletica-165	79	1	in	in	ADP
ecletica-165	79	2	recent	recent	ADJ
ecletica-165	79	3	literature17	literature17	NOUN
ecletica-165	79	4	,	,	PUNCT
ecletica-165	79	5	the	the	DET
ecletica-165	79	6	interaction	interaction	NOUN
ecletica-165	79	7	with	with	ADP
ecletica-165	79	8	lys454	lys454	PROPN
ecletica-165	79	9	has	have	AUX
ecletica-165	79	10	been	be	AUX
ecletica-165	79	11	associated	associate	VERB
ecletica-165	79	12	with	with	ADP
ecletica-165	79	13	the	the	DET
ecletica-165	79	14	increase	increase	NOUN
ecletica-165	79	15	of	of	ADP
ecletica-165	79	16	fak	fak	NOUN
ecletica-165	79	17	inhibition	inhibition	NOUN
ecletica-165	79	18	.	.	PUNCT
ecletica-165	80	1	the	the	DET
ecletica-165	80	2	most	most	ADV
ecletica-165	80	3	powerful	powerful	ADJ
ecletica-165	80	4	pirropyrimidine	pirropyrimidine	ADJ
ecletica-165	80	5	inhibitor	inhibitor	NOUN
ecletica-165	80	6	,	,	PUNCT
ecletica-165	80	7	named	name	VERB
ecletica-165	80	8	32	32	NUM
ecletica-165	80	9	,	,	PUNCT
ecletica-165	80	10	also	also	ADV
ecletica-165	80	11	interacts	interact	VERB
ecletica-165	80	12	with	with	ADP
ecletica-165	80	13	the	the	DET
ecletica-165	80	14	amino	amino	NOUN
ecletica-165	80	15	acid	acid	NOUN
ecletica-165	80	16	met49917	met49917	NOUN
ecletica-165	80	17	.	.	PUNCT
ecletica-165	81	1	3.2	3.2	NUM
ecletica-165	81	2	molecular	molecular	ADJ
ecletica-165	81	3	dynamics	dynamic	NOUN
ecletica-165	81	4	the	the	DET
ecletica-165	81	5	results	result	NOUN
ecletica-165	81	6	of	of	ADP
ecletica-165	81	7	molecular	molecular	ADJ
ecletica-165	81	8	dynamics	dynamic	NOUN
ecletica-165	81	9	and	and	CCONJ
ecletica-165	81	10	the	the	DET
ecletica-165	81	11	pair	pair	NOUN
ecletica-165	81	12	correlation	correlation	NOUN
ecletica-165	81	13	function	function	NOUN
ecletica-165	81	14	are	be	AUX
ecletica-165	81	15	shown	show	VERB
ecletica-165	81	16	in	in	ADP
ecletica-165	81	17	the	the	DET
ecletica-165	81	18	figure	figure	NOUN
ecletica-165	81	19	2	2	NUM
ecletica-165	81	20	.	.	PUNCT
ecletica-165	82	1	the	the	DET
ecletica-165	82	2	pair	pair	NOUN
ecletica-165	82	3	correlation	correlation	NOUN
ecletica-165	82	4	function	function	NOUN
ecletica-165	82	5	is	be	AUX
ecletica-165	82	6	related	relate	VERB
ecletica-165	82	7	to	to	ADP
ecletica-165	82	8	the	the	DET
ecletica-165	82	9	probability	probability	NOUN
ecletica-165	82	10	of	of	ADP
ecletica-165	82	11	finding	find	VERB
ecletica-165	82	12	the	the	DET
ecletica-165	82	13	center	center	NOUN
ecletica-165	82	14	of	of	ADP
ecletica-165	82	15	a	a	DET
ecletica-165	82	16	particle	particle	NOUN
ecletica-165	82	17	a	a	DET
ecletica-165	82	18	given	give	VERB
ecletica-165	82	19	distance	distance	NOUN
ecletica-165	82	20	from	from	ADP
ecletica-165	82	21	the	the	DET
ecletica-165	82	22	center	center	NOUN
ecletica-165	82	23	of	of	ADP
ecletica-165	82	24	another	another	DET
ecletica-165	82	25	particle	particle	NOUN
ecletica-165	82	26	.	.	PUNCT
ecletica-165	83	1	figure	figure	NOUN
ecletica-165	83	2	2	2	NUM
ecletica-165	83	3	shows	show	VERB
ecletica-165	83	4	the	the	DET
ecletica-165	83	5	probability	probability	NOUN
ecletica-165	83	6	of	of	ADP
ecletica-165	83	7	finding	find	VERB
ecletica-165	83	8	two	two	NUM
ecletica-165	83	9	atoms	atom	NOUN
ecletica-165	83	10	with	with	ADP
ecletica-165	83	11	a	a	DET
ecletica-165	83	12	given	give	VERB
ecletica-165	83	13	separation	separation	NOUN
ecletica-165	83	14	.	.	PUNCT
ecletica-165	84	1	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	PROPN
ecletica-165	84	2	original	original	ADJ
ecletica-165	84	3	article	article	NOUN
ecletica-165	84	4	13	13	NUM
ecletica-165	84	5	eclética	eclética	PROPN
ecletica-165	84	6	química	química	PROPN
ecletica-165	84	7	journal	journal	PROPN
ecletica-165	84	8	,	,	PUNCT
ecletica-165	84	9	vol	vol	NOUN
ecletica-165	84	10	.	.	PROPN
ecletica-165	84	11	43	43	NUM
ecletica-165	84	12	,	,	PUNCT
ecletica-165	84	13	n.	n.	NOUN
ecletica-165	84	14	3	3	NUM
ecletica-165	84	15	,	,	PUNCT
ecletica-165	84	16	2018	2018	NUM
ecletica-165	84	17	,	,	PUNCT
ecletica-165	84	18	10	10	NUM
ecletica-165	84	19	-	-	SYM
ecletica-165	84	20	18	18	NUM
ecletica-165	84	21	issn	issn	NOUN
ecletica-165	84	22	:	:	PUNCT
ecletica-165	84	23	1678	1678	NUM
ecletica-165	84	24	-	-	SYM
ecletica-165	84	25	4618	4618	NUM
ecletica-165	84	26	doi	doi	NOUN
ecletica-165	84	27	:	:	PUNCT
ecletica-165	84	28	10.26850/1678	10.26850/1678	NUM
ecletica-165	84	29	-	-	SYM
ecletica-165	84	30	4618eqj.v43.3.2018.p10	4618eqj.v43.3.2018.p10	NUM
ecletica-165	84	31	-	-	SYM
ecletica-165	84	32	18	18	NUM
ecletica-165	84	33	figure	figure	NOUN
ecletica-165	84	34	2	2	NUM
ecletica-165	84	35	.	.	PUNCT
ecletica-165	84	36	hydrogen	hydrogen	NOUN
ecletica-165	84	37	bonds	bond	NOUN
ecletica-165	84	38	performed	perform	VERB
ecletica-165	84	39	by	by	ADP
ecletica-165	84	40	the	the	DET
ecletica-165	84	41	inhibitors	inhibitor	NOUN
ecletica-165	84	42	and	and	CCONJ
ecletica-165	84	43	atp	atp	NOUN
ecletica-165	84	44	using	use	VERB
ecletica-165	84	45	molecular	molecular	ADJ
ecletica-165	84	46	dynamics	dynamic	NOUN
ecletica-165	84	47	and	and	CCONJ
ecletica-165	84	48	the	the	DET
ecletica-165	84	49	graphic	graphic	NOUN
ecletica-165	84	50	of	of	ADP
ecletica-165	84	51	pair	pair	NOUN
ecletica-165	84	52	function	function	NOUN
ecletica-165	84	53	correlation	correlation	NOUN
ecletica-165	84	54	.	.	PUNCT
ecletica-165	85	1	molecular	molecular	ADJ
ecletica-165	85	2	dynamic	dynamic	ADJ
ecletica-165	85	3	shows	show	VERB
ecletica-165	85	4	that	that	SCONJ
ecletica-165	85	5	the	the	DET
ecletica-165	85	6	sulfonamide	sulfonamide	NOUN
ecletica-165	85	7	molecule	molecule	NOUN
ecletica-165	85	8	can	can	AUX
ecletica-165	85	9	bind	bind	VERB
ecletica-165	85	10	with	with	ADP
ecletica-165	85	11	cys502	cys502	PROPN
ecletica-165	85	12	and	and	CCONJ
ecletica-165	85	13	arg426	arg426	PROPN
ecletica-165	85	14	.	.	PUNCT
ecletica-165	86	1	the	the	DET
ecletica-165	86	2	average	average	NOUN
ecletica-165	86	3	of	of	ADP
ecletica-165	86	4	binding	bind	VERB
ecletica-165	86	5	distances	distance	NOUN
ecletica-165	86	6	is	be	AUX
ecletica-165	86	7	equal	equal	ADJ
ecletica-165	86	8	to	to	ADP
ecletica-165	86	9	2	2	NUM
ecletica-165	86	10	å	å	NOUN
ecletica-165	86	11	for	for	ADP
ecletica-165	86	12	both	both	DET
ecletica-165	86	13	amino	amino	ADJ
ecletica-165	86	14	acids	acid	NOUN
ecletica-165	86	15	.	.	PUNCT
ecletica-165	87	1	thiazole	thiazole	NOUN
ecletica-165	87	2	molecule	molecule	NOUN
ecletica-165	87	3	performs	perform	VERB
ecletica-165	87	4	a	a	DET
ecletica-165	87	5	hydrogen	hydrogen	NOUN
ecletica-165	87	6	bond	bond	NOUN
ecletica-165	87	7	with	with	ADP
ecletica-165	87	8	the	the	DET
ecletica-165	87	9	amino	amino	NOUN
ecletica-165	87	10	acid	acid	NOUN
ecletica-165	87	11	cys502	cys502	PROPN
ecletica-165	87	12	and	and	CCONJ
ecletica-165	87	13	the	the	DET
ecletica-165	87	14	amino	amino	NOUN
ecletica-165	87	15	acid	acid	NOUN
ecletica-165	87	16	glu500	glu500	PROPN
ecletica-165	87	17	.	.	PUNCT
ecletica-165	88	1	an	an	DET
ecletica-165	88	2	average	average	NOUN
ecletica-165	88	3	of	of	ADP
ecletica-165	88	4	4.0	4.0	NUM
ecletica-165	88	5	å	å	NOUN
ecletica-165	88	6	of	of	ADP
ecletica-165	88	7	distance	distance	NOUN
ecletica-165	88	8	for	for	ADP
ecletica-165	88	9	these	these	DET
ecletica-165	88	10	interactions	interaction	NOUN
ecletica-165	88	11	was	be	AUX
ecletica-165	88	12	described	describe	VERB
ecletica-165	88	13	by	by	ADP
ecletica-165	88	14	molecular	molecular	ADJ
ecletica-165	88	15	dynamic	dynamic	ADJ
ecletica-165	88	16	calculation	calculation	NOUN
ecletica-165	88	17	.	.	PUNCT
ecletica-165	89	1	atp	atp	PROPN
ecletica-165	89	2	molecule	molecule	NOUN
ecletica-165	89	3	performs	perform	VERB
ecletica-165	89	4	hydrogen	hydrogen	NOUN
ecletica-165	89	5	bonds	bond	NOUN
ecletica-165	89	6	with	with	ADP
ecletica-165	89	7	asp564	asp564	PROPN
ecletica-165	89	8	,	,	PUNCT
ecletica-165	89	9	gln432	gln432	PROPN
ecletica-165	89	10	and	and	CCONJ
ecletica-165	89	11	glu471	glu471	PROPN
ecletica-165	89	12	.	.	PUNCT
ecletica-165	90	1	the	the	DET
ecletica-165	90	2	interaction	interaction	NOUN
ecletica-165	90	3	with	with	ADP
ecletica-165	90	4	gln432	gln432	PROPN
ecletica-165	90	5	and	and	CCONJ
ecletica-165	90	6	asp564	asp564	PROPN
ecletica-165	90	7	is	be	AUX
ecletica-165	90	8	close	close	ADJ
ecletica-165	90	9	to	to	ADP
ecletica-165	90	10	2.5	2.5	NUM
ecletica-165	90	11	å	å	NOUN
ecletica-165	90	12	while	while	SCONJ
ecletica-165	90	13	the	the	DET
ecletica-165	90	14	interaction	interaction	NOUN
ecletica-165	90	15	with	with	ADP
ecletica-165	90	16	glu471	glu471	PROPN
ecletica-165	90	17	is	be	AUX
ecletica-165	90	18	close	close	ADJ
ecletica-165	90	19	to	to	ADP
ecletica-165	90	20	2.0	2.0	NUM
ecletica-165	90	21	å	å	NOUN
ecletica-165	90	22	.	.	PUNCT
ecletica-165	91	1	these	these	DET
ecletica-165	91	2	results	result	NOUN
ecletica-165	91	3	show	show	VERB
ecletica-165	91	4	a	a	DET
ecletica-165	91	5	distribution	distribution	NOUN
ecletica-165	91	6	of	of	ADP
ecletica-165	91	7	hydrogen	hydrogen	NOUN
ecletica-165	91	8	bond	bond	NOUN
ecletica-165	91	9	distances	distance	NOUN
ecletica-165	91	10	during	during	ADP
ecletica-165	91	11	the	the	DET
ecletica-165	91	12	molecular	molecular	ADJ
ecletica-165	91	13	dynamics	dynamic	NOUN
ecletica-165	91	14	.	.	PUNCT
ecletica-165	92	1	the	the	DET
ecletica-165	92	2	differences	difference	NOUN
ecletica-165	92	3	between	between	ADP
ecletica-165	92	4	oniom	oniom	NOUN
ecletica-165	92	5	(	(	PUNCT
ecletica-165	92	6	hf/6	hf/6	PROPN
ecletica-165	92	7	-	-	PUNCT
ecletica-165	92	8	31g	31g	PROPN
ecletica-165	92	9	/	/	SYM
ecletica-165	92	10	uff	uff	PROPN
ecletica-165	92	11	)	)	PUNCT
ecletica-165	92	12	results	result	NOUN
ecletica-165	92	13	compared	compare	VERB
ecletica-165	92	14	with	with	ADP
ecletica-165	92	15	molecular	molecular	ADJ
ecletica-165	92	16	dynamics	dynamic	NOUN
ecletica-165	92	17	are	be	AUX
ecletica-165	92	18	described	describe	VERB
ecletica-165	92	19	in	in	ADP
ecletica-165	92	20	table	table	NOUN
ecletica-165	92	21	1	1	NUM
ecletica-165	92	22	.	.	PUNCT
ecletica-165	93	1	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	NOUN
ecletica-165	93	2	original	original	ADJ
ecletica-165	93	3	article	article	NOUN
ecletica-165	93	4	14	14	NUM
ecletica-165	93	5	eclética	eclética	PROPN
ecletica-165	93	6	química	química	PROPN
ecletica-165	93	7	journal	journal	PROPN
ecletica-165	93	8	,	,	PUNCT
ecletica-165	93	9	vol	vol	NOUN
ecletica-165	93	10	.	.	PROPN
ecletica-165	93	11	43	43	NUM
ecletica-165	93	12	,	,	PUNCT
ecletica-165	93	13	n.	n.	NOUN
ecletica-165	93	14	3	3	NUM
ecletica-165	93	15	,	,	PUNCT
ecletica-165	93	16	2018	2018	NUM
ecletica-165	93	17	,	,	PUNCT
ecletica-165	93	18	10	10	NUM
ecletica-165	93	19	-	-	SYM
ecletica-165	93	20	18	18	NUM
ecletica-165	93	21	issn	issn	NOUN
ecletica-165	93	22	:	:	PUNCT
ecletica-165	93	23	1678	1678	NUM
ecletica-165	93	24	-	-	SYM
ecletica-165	93	25	4618	4618	NUM
ecletica-165	93	26	doi	doi	NOUN
ecletica-165	93	27	:	:	PUNCT
ecletica-165	93	28	10.26850/1678	10.26850/1678	NUM
ecletica-165	93	29	-	-	SYM
ecletica-165	93	30	4618eqj.v43.3.2018.p10	4618eqj.v43.3.2018.p10	NUM
ecletica-165	93	31	-	-	SYM
ecletica-165	93	32	18	18	NUM
ecletica-165	93	33	table	table	NOUN
ecletica-165	93	34	1	1	NUM
ecletica-165	93	35	.	.	PUNCT
ecletica-165	94	1	hydrogen	hydrogen	NOUN
ecletica-165	94	2	bonds	bond	NOUN
ecletica-165	94	3	distances	distance	NOUN
ecletica-165	94	4	performed	perform	VERB
ecletica-165	94	5	between	between	ADP
ecletica-165	94	6	the	the	DET
ecletica-165	94	7	amino	amino	NOUN
ecletica-165	94	8	acids	acid	NOUN
ecletica-165	94	9	localized	localize	VERB
ecletica-165	94	10	in	in	ADP
ecletica-165	94	11	the	the	DET
ecletica-165	94	12	binding	bind	VERB
ecletica-165	94	13	site	site	NOUN
ecletica-165	94	14	and	and	CCONJ
ecletica-165	94	15	the	the	DET
ecletica-165	94	16	inhibitors	inhibitor	NOUN
ecletica-165	94	17	using	use	VERB
ecletica-165	94	18	different	different	ADJ
ecletica-165	94	19	methodologies	methodology	NOUN
ecletica-165	94	20	(	(	PUNCT
ecletica-165	94	21	mdmolecular	mdmolecular	ADJ
ecletica-165	94	22	dynamics	dynamic	NOUN
ecletica-165	94	23	and	and	CCONJ
ecletica-165	94	24	oniom	oniom	NOUN
ecletica-165	94	25	,	,	PUNCT
ecletica-165	94	26	hf/6	hf/6	PROPN
ecletica-165	94	27	-	-	PUNCT
ecletica-165	94	28	31g	31g	PROPN
ecletica-165	94	29	/	/	SYM
ecletica-165	94	30	uff	uff	PROPN
ecletica-165	94	31	)	)	PUNCT
ecletica-165	94	32	.	.	PUNCT
ecletica-165	95	1	*	*	PUNCT
ecletica-165	95	2	*	*	PUNCT
ecletica-165	95	3	*	*	PUNCT
ecletica-165	95	4	*	*	PUNCT
ecletica-165	95	5	*	*	PUNCT
ecletica-165	95	6	no	no	DET
ecletica-165	95	7	changes	change	NOUN
ecletica-165	95	8	verified	verify	VERB
ecletica-165	95	9	in	in	ADP
ecletica-165	95	10	the	the	DET
ecletica-165	95	11	hydrogen	hydrogen	NOUN
ecletica-165	95	12	bond	bond	NOUN
ecletica-165	95	13	distances	distance	NOUN
ecletica-165	95	14	compared	compare	VERB
ecletica-165	95	15	with	with	ADP
ecletica-165	95	16	oniom	oniom	NOUN
ecletica-165	95	17	optimization	optimization	NOUN
ecletica-165	95	18	the	the	DET
ecletica-165	95	19	results	result	NOUN
ecletica-165	95	20	of	of	ADP
ecletica-165	95	21	molecular	molecular	ADJ
ecletica-165	95	22	dynamics	dynamic	NOUN
ecletica-165	95	23	are	be	AUX
ecletica-165	95	24	close	close	ADJ
ecletica-165	95	25	to	to	PART
ecletica-165	95	26	oniom	oniom	VERB
ecletica-165	95	27	approach	approach	NOUN
ecletica-165	95	28	.	.	PUNCT
ecletica-165	96	1	sulfonamide	sulfonamide	ADJ
ecletica-165	96	2	molecule	molecule	NOUN
ecletica-165	96	3	performs	perform	VERB
ecletica-165	96	4	hydrogen	hydrogen	NOUN
ecletica-165	96	5	bonds	bond	NOUN
ecletica-165	96	6	close	close	ADJ
ecletica-165	96	7	to	to	ADP
ecletica-165	96	8	2.0	2.0	NUM
ecletica-165	96	9	å	å	NOUN
ecletica-165	96	10	for	for	ADP
ecletica-165	96	11	both	both	DET
ecletica-165	96	12	methods	method	NOUN
ecletica-165	96	13	.	.	PUNCT
ecletica-165	97	1	atp	atp	PROPN
ecletica-165	97	2	molecule	molecule	NOUN
ecletica-165	97	3	shows	show	VERB
ecletica-165	97	4	similar	similar	ADJ
ecletica-165	97	5	distances	distance	NOUN
ecletica-165	97	6	of	of	ADP
ecletica-165	97	7	hydrogen	hydrogen	NOUN
ecletica-165	97	8	bond	bond	NOUN
ecletica-165	97	9	for	for	ADP
ecletica-165	97	10	the	the	DET
ecletica-165	97	11	two	two	NUM
ecletica-165	97	12	methods	method	NOUN
ecletica-165	97	13	.	.	PUNCT
ecletica-165	98	1	the	the	DET
ecletica-165	98	2	exception	exception	NOUN
ecletica-165	98	3	is	be	AUX
ecletica-165	98	4	the	the	DET
ecletica-165	98	5	molecule	molecule	NOUN
ecletica-165	98	6	of	of	ADP
ecletica-165	98	7	thiazole	thiazole	NOUN
ecletica-165	98	8	.	.	PUNCT
ecletica-165	99	1	during	during	ADP
ecletica-165	99	2	the	the	DET
ecletica-165	99	3	molecular	molecular	ADJ
ecletica-165	99	4	dynamic	dynamic	NOUN
ecletica-165	99	5	the	the	DET
ecletica-165	99	6	hydrogen	hydrogen	NOUN
ecletica-165	99	7	bond	bond	NOUN
ecletica-165	99	8	with	with	ADP
ecletica-165	99	9	cys502	cys502	PROPN
ecletica-165	99	10	keep	keep	VERB
ecletica-165	99	11	a	a	DET
ecletica-165	99	12	distance	distance	NOUN
ecletica-165	99	13	close	close	ADV
ecletica-165	99	14	to	to	ADP
ecletica-165	99	15	4.0	4.0	NUM
ecletica-165	99	16	å	å	NOUN
ecletica-165	99	17	,	,	PUNCT
ecletica-165	99	18	while	while	SCONJ
ecletica-165	99	19	the	the	DET
ecletica-165	99	20	oniom	oniom	NOUN
ecletica-165	99	21	optimization	optimization	NOUN
ecletica-165	99	22	shows	show	VERB
ecletica-165	99	23	a	a	DET
ecletica-165	99	24	distance	distance	NOUN
ecletica-165	99	25	of	of	ADP
ecletica-165	99	26	2.5	2.5	NUM
ecletica-165	99	27	å	å	NOUN
ecletica-165	99	28	.	.	PUNCT
ecletica-165	100	1	the	the	DET
ecletica-165	100	2	mp2	mp2	PROPN
ecletica-165	100	3	method	method	NOUN
ecletica-165	100	4	shows	show	VERB
ecletica-165	100	5	that	that	SCONJ
ecletica-165	100	6	this	this	DET
ecletica-165	100	7	bond	bond	NOUN
ecletica-165	100	8	has	have	VERB
ecletica-165	100	9	energy	energy	NOUN
ecletica-165	100	10	close	close	ADJ
ecletica-165	100	11	to	to	PART
ecletica-165	100	12	1	1	NUM
ecletica-165	100	13	kcal	kcal	NOUN
ecletica-165	100	14	,	,	PUNCT
ecletica-165	100	15	while	while	SCONJ
ecletica-165	100	16	the	the	DET
ecletica-165	100	17	same	same	ADJ
ecletica-165	100	18	bond	bond	NOUN
ecletica-165	100	19	to	to	PART
ecletica-165	100	20	sulfonamide	sulfonamide	NOUN
ecletica-165	100	21	has	have	VERB
ecletica-165	100	22	an	an	DET
ecletica-165	100	23	energy	energy	NOUN
ecletica-165	100	24	interaction	interaction	NOUN
ecletica-165	100	25	close	close	ADV
ecletica-165	100	26	to	to	ADP
ecletica-165	100	27	40	40	NUM
ecletica-165	100	28	kcal	kcal	NOUN
ecletica-165	100	29	.	.	PUNCT
ecletica-165	101	1	the	the	DET
ecletica-165	101	2	same	same	ADJ
ecletica-165	101	3	result	result	NOUN
ecletica-165	101	4	is	be	AUX
ecletica-165	101	5	seen	see	VERB
ecletica-165	101	6	to	to	ADP
ecletica-165	101	7	the	the	DET
ecletica-165	101	8	interaction	interaction	NOUN
ecletica-165	101	9	with	with	ADP
ecletica-165	101	10	glu500	glu500	PROPN
ecletica-165	101	11	.	.	PUNCT
ecletica-165	102	1	the	the	DET
ecletica-165	102	2	energy	energy	NOUN
ecletica-165	102	3	to	to	ADP
ecletica-165	102	4	the	the	DET
ecletica-165	102	5	interaction	interaction	NOUN
ecletica-165	102	6	between	between	ADP
ecletica-165	102	7	the	the	DET
ecletica-165	102	8	thiazole	thiazole	NOUN
ecletica-165	102	9	inhibitor	inhibitor	NOUN
ecletica-165	102	10	and	and	CCONJ
ecletica-165	102	11	the	the	DET
ecletica-165	102	12	amino	amino	NOUN
ecletica-165	102	13	acid	acid	NOUN
ecletica-165	102	14	glu500	glu500	PROPN
ecletica-165	102	15	is	be	AUX
ecletica-165	102	16	close	close	ADJ
ecletica-165	102	17	to	to	ADP
ecletica-165	102	18	2	2	NUM
ecletica-165	102	19	kcal	kcal	NOUN
ecletica-165	102	20	.	.	PUNCT
ecletica-165	103	1	these	these	DET
ecletica-165	103	2	results	result	NOUN
ecletica-165	103	3	justify	justify	VERB
ecletica-165	103	4	the	the	DET
ecletica-165	103	5	discrepancy	discrepancy	NOUN
ecletica-165	103	6	between	between	ADP
ecletica-165	103	7	the	the	DET
ecletica-165	103	8	quantum	quantum	ADJ
ecletica-165	103	9	mechanical	mechanical	ADJ
ecletica-165	103	10	optimization	optimization	NOUN
ecletica-165	103	11	and	and	CCONJ
ecletica-165	103	12	the	the	DET
ecletica-165	103	13	molecular	molecular	ADJ
ecletica-165	103	14	dynamics	dynamic	NOUN
ecletica-165	103	15	.	.	PUNCT
ecletica-165	104	1	there	there	PRON
ecletica-165	104	2	is	be	VERB
ecletica-165	104	3	no	no	DET
ecletica-165	104	4	experimental	experimental	ADJ
ecletica-165	104	5	quantity	quantity	NOUN
ecletica-165	104	6	activity	activity	NOUN
ecletica-165	104	7	to	to	AUX
ecletica-165	104	8	thiazole	thiazole	NOUN
ecletica-165	104	9	molecule	molecule	NOUN
ecletica-165	104	10	.	.	PUNCT
ecletica-165	105	1	however	however	ADV
ecletica-165	105	2	,	,	PUNCT
ecletica-165	105	3	we	we	PRON
ecletica-165	105	4	believe	believe	VERB
ecletica-165	105	5	that	that	SCONJ
ecletica-165	105	6	this	this	DET
ecletica-165	105	7	inhibitor	inhibitor	NOUN
ecletica-165	105	8	does	do	AUX
ecletica-165	105	9	not	not	PART
ecletica-165	105	10	have	have	VERB
ecletica-165	105	11	a	a	DET
ecletica-165	105	12	good	good	ADJ
ecletica-165	105	13	activity	activity	NOUN
ecletica-165	105	14	to	to	ADP
ecletica-165	105	15	fak	fak	NOUN
ecletica-165	105	16	inhibition	inhibition	NOUN
ecletica-165	105	17	due	due	ADJ
ecletica-165	105	18	to	to	ADP
ecletica-165	105	19	weak	weak	ADJ
ecletica-165	105	20	interaction	interaction	NOUN
ecletica-165	105	21	energy	energy	NOUN
ecletica-165	105	22	with	with	ADP
ecletica-165	105	23	the	the	DET
ecletica-165	105	24	fak	fak	NOUN
ecletica-165	105	25	binding	bind	VERB
ecletica-165	105	26	site	site	NOUN
ecletica-165	105	27	associate	associate	NOUN
ecletica-165	105	28	with	with	ADP
ecletica-165	105	29	long	long	ADJ
ecletica-165	105	30	hydrogen	hydrogen	NOUN
ecletica-165	105	31	bond	bond	NOUN
ecletica-165	105	32	distances	distance	NOUN
ecletica-165	105	33	.	.	PUNCT
ecletica-165	106	1	on	on	ADP
ecletica-165	106	2	the	the	DET
ecletica-165	106	3	other	other	ADJ
ecletica-165	106	4	hand	hand	NOUN
ecletica-165	106	5	,	,	PUNCT
ecletica-165	106	6	the	the	DET
ecletica-165	106	7	sulfonamide	sulfonamide	NOUN
ecletica-165	106	8	molecule	molecule	NOUN
ecletica-165	106	9	has	have	VERB
ecletica-165	106	10	a	a	DET
ecletica-165	106	11	good	good	ADJ
ecletica-165	106	12	activity	activity	NOUN
ecletica-165	106	13	to	to	PART
ecletica-165	106	14	inhibit	inhibit	VERB
ecletica-165	106	15	fak	fak	NOUN
ecletica-165	106	16	and	and	CCONJ
ecletica-165	106	17	very	very	ADV
ecletica-165	106	18	strong	strong	ADJ
ecletica-165	106	19	hydrogen	hydrogen	NOUN
ecletica-165	106	20	bonds	bond	NOUN
ecletica-165	106	21	.	.	PUNCT
ecletica-165	107	1	3.3	3.3	NUM
ecletica-165	107	2	orbitals	orbital	NOUN
ecletica-165	107	3	analysis	analysis	VERB
ecletica-165	107	4	the	the	DET
ecletica-165	107	5	molecular	molecular	ADJ
ecletica-165	107	6	orbitals	orbital	NOUN
ecletica-165	107	7	obtained	obtain	VERB
ecletica-165	107	8	from	from	ADP
ecletica-165	107	9	ab	ab	PROPN
ecletica-165	107	10	-	-	PUNCT
ecletica-165	107	11	initio	initio	NOUN
ecletica-165	107	12	calculation	calculation	NOUN
ecletica-165	107	13	are	be	AUX
ecletica-165	107	14	shown	show	VERB
ecletica-165	107	15	below	below	ADP
ecletica-165	107	16	in	in	ADP
ecletica-165	107	17	figure	figure	NOUN
ecletica-165	107	18	3	3	NUM
ecletica-165	107	19	.	.	PUNCT
ecletica-165	107	20	amino	amino	NOUN
ecletica-165	107	21	acid	acid	NOUN
ecletica-165	107	22	sulfonamide	sulfonamide	NOUN
ecletica-165	107	23	oniom	oniom	NOUN
ecletica-165	107	24	hydrogen	hydrogen	NOUN
ecletica-165	107	25	bond	bond	NOUN
ecletica-165	107	26	distances	distance	NOUN
ecletica-165	107	27	(	(	PUNCT
ecletica-165	107	28	a	a	DET
ecletica-165	107	29	o	o	NOUN
ecletica-165	107	30	)	)	PUNCT
ecletica-165	107	31	sulfonamide	sulfonamide	NOUN
ecletica-165	107	32	md	md	PROPN
ecletica-165	107	33	hydrogen	hydrogen	PROPN
ecletica-165	107	34	bond	bond	NOUN
ecletica-165	107	35	distances	distance	NOUN
ecletica-165	107	36	(	(	PUNCT
ecletica-165	107	37	a	a	DET
ecletica-165	107	38	o	o	NOUN
ecletica-165	107	39	)	)	PUNCT
ecletica-165	107	40	thiazole	thiazole	NOUN
ecletica-165	107	41	oniom	oniom	NOUN
ecletica-165	107	42	hydrogen	hydrogen	NOUN
ecletica-165	107	43	bond	bond	NOUN
ecletica-165	107	44	distances	distance	NOUN
ecletica-165	107	45	(	(	PUNCT
ecletica-165	107	46	a	a	DET
ecletica-165	107	47	o	o	NOUN
ecletica-165	107	48	)	)	PUNCT
ecletica-165	107	49	thiazole	thiazole	NOUN
ecletica-165	107	50	md	md	PROPN
ecletica-165	107	51	hydrogen	hydrogen	PROPN
ecletica-165	107	52	bond	bond	NOUN
ecletica-165	107	53	distances	distance	NOUN
ecletica-165	107	54	(	(	PUNCT
ecletica-165	107	55	a	a	DET
ecletica-165	107	56	o	o	NOUN
ecletica-165	107	57	)	)	PUNCT
ecletica-165	107	58	atp	atp	PROPN
ecletica-165	107	59	oniom	oniom	PROPN
ecletica-165	107	60	hydrogen	hydrogen	NOUN
ecletica-165	107	61	bond	bond	NOUN
ecletica-165	107	62	distances	distance	NOUN
ecletica-165	107	63	(	(	PUNCT
ecletica-165	107	64	a	a	DET
ecletica-165	107	65	o	o	NOUN
ecletica-165	107	66	)	)	PUNCT
ecletica-165	107	67	atp	atp	PROPN
ecletica-165	107	68	md	md	PROPN
ecletica-165	107	69	hydrogen	hydrogen	PROPN
ecletica-165	107	70	bond	bond	NOUN
ecletica-165	107	71	distances	distance	NOUN
ecletica-165	107	72	(	(	PUNCT
ecletica-165	107	73	a	a	DET
ecletica-165	107	74	o	o	NOUN
ecletica-165	107	75	)	)	PUNCT
ecletica-165	107	76	lys454	lys454	PROPN
ecletica-165	107	77	1.4	1.4	NUM
ecletica-165	107	78	1.6	1.6	NUM
ecletica-165	107	79	cys502	cys502	PROPN
ecletica-165	107	80	1.9	1.9	NUM
ecletica-165	107	81	,	,	PUNCT
ecletica-165	107	82	2.3	2.3	NUM
ecletica-165	107	83	*	*	PUNCT
ecletica-165	107	84	*	*	PUNCT
ecletica-165	107	85	*	*	PUNCT
ecletica-165	107	86	*	*	PUNCT
ecletica-165	107	87	2.5	2.5	NUM
ecletica-165	107	88	4.0	4.0	NUM
ecletica-165	107	89	2.5	2.5	NUM
ecletica-165	107	90	arg426	arg426	PROPN
ecletica-165	107	91	1.9	1.9	NUM
ecletica-165	107	92	*	*	PUNCT
ecletica-165	107	93	*	*	PUNCT
ecletica-165	107	94	*	*	PUNCT
ecletica-165	107	95	*	*	PUNCT
ecletica-165	107	96	glu500	glu500	PROPN
ecletica-165	107	97	3.5	3.5	NUM
ecletica-165	107	98	-	-	SYM
ecletica-165	107	99	4.0	4.0	NUM
ecletica-165	107	100	2.8	2.8	NUM
ecletica-165	107	101	2.06	2.06	NUM
ecletica-165	107	102	met499	met499	PROPN
ecletica-165	107	103	2.7	2.7	NUM
ecletica-165	107	104	1.6	1.6	NUM
ecletica-165	107	105	gln432	gln432	NOUN
ecletica-165	107	106	1.8	1.8	NUM
ecletica-165	107	107	2.5	2.5	NUM
ecletica-165	107	108	asp564	asp564	PROPN
ecletica-165	107	109	2.4	2.4	NUM
ecletica-165	107	110	*	*	PUNCT
ecletica-165	107	111	*	*	PUNCT
ecletica-165	107	112	*	*	PUNCT
ecletica-165	107	113	*	*	PUNCT
ecletica-165	107	114	2.0	2.0	NUM
ecletica-165	107	115	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	NOUN
ecletica-165	107	116	original	original	ADJ
ecletica-165	107	117	article	article	NOUN
ecletica-165	107	118	15	15	NUM
ecletica-165	107	119	eclética	eclética	PROPN
ecletica-165	107	120	química	química	PROPN
ecletica-165	107	121	journal	journal	PROPN
ecletica-165	107	122	,	,	PUNCT
ecletica-165	107	123	vol	vol	NOUN
ecletica-165	107	124	.	.	PROPN
ecletica-165	107	125	43	43	NUM
ecletica-165	107	126	,	,	PUNCT
ecletica-165	107	127	n.	n.	NOUN
ecletica-165	107	128	3	3	NUM
ecletica-165	107	129	,	,	PUNCT
ecletica-165	107	130	2018	2018	NUM
ecletica-165	107	131	,	,	PUNCT
ecletica-165	107	132	10	10	NUM
ecletica-165	107	133	-	-	SYM
ecletica-165	107	134	18	18	NUM
ecletica-165	107	135	issn	issn	NOUN
ecletica-165	107	136	:	:	PUNCT
ecletica-165	107	137	1678	1678	NUM
ecletica-165	107	138	-	-	SYM
ecletica-165	107	139	4618	4618	NUM
ecletica-165	107	140	doi	doi	NOUN
ecletica-165	107	141	:	:	PUNCT
ecletica-165	107	142	10.26850/1678	10.26850/1678	NUM
ecletica-165	107	143	-	-	SYM
ecletica-165	107	144	4618eqj.v43.3.2018.p10	4618eqj.v43.3.2018.p10	NUM
ecletica-165	107	145	-	-	SYM
ecletica-165	107	146	18	18	NUM
ecletica-165	107	147	figure	figure	NOUN
ecletica-165	107	148	3	3	NUM
ecletica-165	107	149	.	.	PUNCT
ecletica-165	108	1	molecular	molecular	ADJ
ecletica-165	108	2	orbitals	orbital	NOUN
ecletica-165	108	3	homo	homo	NOUN
ecletica-165	108	4	and	and	CCONJ
ecletica-165	108	5	lumo	lumo	NOUN
ecletica-165	108	6	obtained	obtain	VERB
ecletica-165	108	7	from	from	ADP
ecletica-165	108	8	ab	ab	PROPN
ecletica-165	108	9	-	-	PUNCT
ecletica-165	108	10	initio	initio	NOUN
ecletica-165	108	11	calculations	calculation	NOUN
ecletica-165	108	12	of	of	ADP
ecletica-165	108	13	the	the	DET
ecletica-165	108	14	ligands	ligand	NOUN
ecletica-165	108	15	(	(	PUNCT
ecletica-165	108	16	atp	atp	NOUN
ecletica-165	108	17	,	,	PUNCT
ecletica-165	108	18	sulfonamide	sulfonamide	NOUN
ecletica-165	108	19	and	and	CCONJ
ecletica-165	108	20	thiazole	thiazole	NOUN
ecletica-165	108	21	)	)	PUNCT
ecletica-165	108	22	in	in	ADP
ecletica-165	108	23	the	the	DET
ecletica-165	108	24	binding	bind	VERB
ecletica-165	108	25	site	site	NOUN
ecletica-165	108	26	.	.	PUNCT
ecletica-165	109	1	the	the	DET
ecletica-165	109	2	homo	homo	NOUN
ecletica-165	109	3	and	and	CCONJ
ecletica-165	109	4	lumo	lumo	NOUN
ecletica-165	109	5	molecular	molecular	ADJ
ecletica-165	109	6	orbitals	orbital	NOUN
ecletica-165	109	7	obtained	obtain	VERB
ecletica-165	109	8	from	from	ADP
ecletica-165	109	9	ab	ab	PROPN
ecletica-165	109	10	-	-	PUNCT
ecletica-165	109	11	initio	initio	NOUN
ecletica-165	109	12	calculations	calculation	NOUN
ecletica-165	109	13	show	show	VERB
ecletica-165	109	14	a	a	DET
ecletica-165	109	15	pattern	pattern	NOUN
ecletica-165	109	16	in	in	ADP
ecletica-165	109	17	the	the	DET
ecletica-165	109	18	binding	bind	VERB
ecletica-165	109	19	site	site	NOUN
ecletica-165	109	20	for	for	ADP
ecletica-165	109	21	the	the	DET
ecletica-165	109	22	ligands	ligand	NOUN
ecletica-165	109	23	studied	study	VERB
ecletica-165	109	24	.	.	PUNCT
ecletica-165	110	1	homo	homo	NOUN
ecletica-165	110	2	orbitals	orbital	NOUN
ecletica-165	110	3	are	be	AUX
ecletica-165	110	4	located	locate	VERB
ecletica-165	110	5	mainly	mainly	ADV
ecletica-165	110	6	in	in	ADP
ecletica-165	110	7	the	the	DET
ecletica-165	110	8	amino	amino	NOUN
ecletica-165	110	9	acids	acid	NOUN
ecletica-165	110	10	glu500	glu500	PROPN
ecletica-165	110	11	and	and	CCONJ
ecletica-165	110	12	met499	met499	PROPN
ecletica-165	110	13	.	.	PUNCT
ecletica-165	111	1	in	in	ADP
ecletica-165	111	2	the	the	DET
ecletica-165	111	3	atp	atp	NOUN
ecletica-165	111	4	molecule	molecule	NOUN
ecletica-165	111	5	,	,	PUNCT
ecletica-165	111	6	the	the	DET
ecletica-165	111	7	lumo	lumo	ADJ
ecletica-165	111	8	orbital	orbital	NOUN
ecletica-165	111	9	is	be	AUX
ecletica-165	111	10	located	locate	VERB
ecletica-165	111	11	at	at	ADP
ecletica-165	111	12	the	the	DET
ecletica-165	111	13	amino	amino	NOUN
ecletica-165	111	14	acid	acid	NOUN
ecletica-165	111	15	gln432	gln432	NOUN
ecletica-165	111	16	while	while	SCONJ
ecletica-165	111	17	in	in	ADP
ecletica-165	111	18	the	the	DET
ecletica-165	111	19	thiazole	thiazole	NOUN
ecletica-165	111	20	molecule	molecule	NOUN
ecletica-165	111	21	,	,	PUNCT
ecletica-165	111	22	lumo	lumo	ADJ
ecletica-165	111	23	orbital	orbital	NOUN
ecletica-165	111	24	remains	remain	VERB
ecletica-165	111	25	on	on	ADP
ecletica-165	111	26	the	the	DET
ecletica-165	111	27	amino	amino	NOUN
ecletica-165	111	28	acids	acid	NOUN
ecletica-165	111	29	glu500	glu500	PROPN
ecletica-165	111	30	and	and	CCONJ
ecletica-165	111	31	met499	met499	PROPN
ecletica-165	111	32	.	.	PUNCT
ecletica-165	112	1	the	the	DET
ecletica-165	112	2	orbital	orbital	NOUN
ecletica-165	112	3	of	of	ADP
ecletica-165	112	4	the	the	DET
ecletica-165	112	5	sulfonamide	sulfonamide	NOUN
ecletica-165	112	6	is	be	AUX
ecletica-165	112	7	located	locate	VERB
ecletica-165	112	8	on	on	ADP
ecletica-165	112	9	the	the	DET
ecletica-165	112	10	amino	amino	NOUN
ecletica-165	112	11	acid	acid	PROPN
ecletica-165	112	12	cys502	cys502	PROPN
ecletica-165	112	13	.	.	PUNCT
ecletica-165	113	1	fluorine	fluorine	NOUN
ecletica-165	113	2	atoms	atom	NOUN
ecletica-165	113	3	of	of	ADP
ecletica-165	113	4	the	the	DET
ecletica-165	113	5	sulfonamide	sulfonamide	ADJ
ecletica-165	113	6	inhibitor	inhibitor	NOUN
ecletica-165	113	7	interact	interact	VERB
ecletica-165	113	8	with	with	ADP
ecletica-165	113	9	amino	amino	ADJ
ecletica-165	113	10	acids	acid	NOUN
ecletica-165	113	11	met499	met499	PROPN
ecletica-165	113	12	and	and	CCONJ
ecletica-165	113	13	glu500	glu500	PROPN
ecletica-165	113	14	,	,	PUNCT
ecletica-165	113	15	while	while	SCONJ
ecletica-165	113	16	in	in	ADP
ecletica-165	113	17	the	the	DET
ecletica-165	113	18	atp	atp	NOUN
ecletica-165	113	19	molecule	molecule	NOUN
ecletica-165	113	20	the	the	DET
ecletica-165	113	21	interaction	interaction	NOUN
ecletica-165	113	22	occurs	occur	VERB
ecletica-165	113	23	with	with	ADP
ecletica-165	113	24	the	the	DET
ecletica-165	113	25	chemical	chemical	NOUN
ecletica-165	113	26	group	group	NOUN
ecletica-165	113	27	adenine	adenine	NOUN
ecletica-165	113	28	.	.	PUNCT
ecletica-165	114	1	the	the	DET
ecletica-165	114	2	bicyclic	bicyclic	NOUN
ecletica-165	114	3	ring	ring	NOUN
ecletica-165	114	4	of	of	ADP
ecletica-165	114	5	the	the	DET
ecletica-165	114	6	thiazole	thiazole	NOUN
ecletica-165	114	7	molecule	molecule	NOUN
ecletica-165	114	8	has	have	VERB
ecletica-165	114	9	the	the	DET
ecletica-165	114	10	same	same	ADJ
ecletica-165	114	11	function	function	NOUN
ecletica-165	114	12	as	as	ADP
ecletica-165	114	13	the	the	DET
ecletica-165	114	14	adenine	adenine	ADJ
ecletica-165	114	15	ring	ring	NOUN
ecletica-165	114	16	of	of	ADP
ecletica-165	114	17	the	the	DET
ecletica-165	114	18	atp	atp	NOUN
ecletica-165	114	19	molecule	molecule	NOUN
ecletica-165	114	20	and	and	CCONJ
ecletica-165	114	21	the	the	DET
ecletica-165	114	22	fluorine	fluorine	NOUN
ecletica-165	114	23	atoms	atom	NOUN
ecletica-165	114	24	of	of	ADP
ecletica-165	114	25	the	the	DET
ecletica-165	114	26	sulfonamide	sulfonamide	NOUN
ecletica-165	114	27	molecule	molecule	NOUN
ecletica-165	114	28	.	.	PUNCT
ecletica-165	115	1	the	the	DET
ecletica-165	115	2	construction	construction	NOUN
ecletica-165	115	3	of	of	ADP
ecletica-165	115	4	new	new	ADJ
ecletica-165	115	5	inhibitors	inhibitor	NOUN
ecletica-165	115	6	should	should	AUX
ecletica-165	115	7	be	be	AUX
ecletica-165	115	8	focused	focus	VERB
ecletica-165	115	9	on	on	ADP
ecletica-165	115	10	towards	towards	ADP
ecletica-165	115	11	the	the	DET
ecletica-165	115	12	compliance	compliance	NOUN
ecletica-165	115	13	of	of	ADP
ecletica-165	115	14	the	the	DET
ecletica-165	115	15	hydrogen	hydrogen	NOUN
ecletica-165	115	16	bonds	bond	NOUN
ecletica-165	115	17	obtained	obtain	VERB
ecletica-165	115	18	,	,	PUNCT
ecletica-165	115	19	as	as	ADV
ecletica-165	115	20	well	well	ADV
ecletica-165	115	21	as	as	ADP
ecletica-165	115	22	the	the	DET
ecletica-165	115	23	arrangement	arrangement	NOUN
ecletica-165	115	24	of	of	ADP
ecletica-165	115	25	the	the	DET
ecletica-165	115	26	homo	homo	NOUN
ecletica-165	115	27	/	/	SYM
ecletica-165	115	28	lumo	lumo	NOUN
ecletica-165	115	29	orbitals	orbital	NOUN
ecletica-165	115	30	that	that	PRON
ecletica-165	115	31	emphasize	emphasize	VERB
ecletica-165	115	32	the	the	DET
ecletica-165	115	33	importance	importance	NOUN
ecletica-165	115	34	of	of	ADP
ecletica-165	115	35	the	the	DET
ecletica-165	115	36	connections	connection	NOUN
ecletica-165	115	37	and	and	CCONJ
ecletica-165	115	38	interactions	interaction	NOUN
ecletica-165	115	39	with	with	ADP
ecletica-165	115	40	the	the	DET
ecletica-165	115	41	amino	amino	NOUN
ecletica-165	115	42	acids	acid	NOUN
ecletica-165	115	43	met499	met499	PROPN
ecletica-165	115	44	and	and	CCONJ
ecletica-165	115	45	glu500	glu500	PROPN
ecletica-165	115	46	.	.	PUNCT
ecletica-165	116	1	the	the	DET
ecletica-165	116	2	inhibitor	inhibitor	NOUN
ecletica-165	116	3	thiazole	thiazole	NOUN
ecletica-165	116	4	has	have	VERB
ecletica-165	116	5	a	a	DET
ecletica-165	116	6	long	long	ADJ
ecletica-165	116	7	hydrogen	hydrogen	NOUN
ecletica-165	116	8	bond	bond	NOUN
ecletica-165	116	9	and	and	CCONJ
ecletica-165	116	10	a	a	DET
ecletica-165	116	11	weak	weak	ADJ
ecletica-165	116	12	hydrogen	hydrogen	NOUN
ecletica-165	116	13	bond	bond	NOUN
ecletica-165	116	14	with	with	ADP
ecletica-165	116	15	the	the	DET
ecletica-165	116	16	amino	amino	NOUN
ecletica-165	116	17	acids	acid	NOUN
ecletica-165	116	18	where	where	SCONJ
ecletica-165	116	19	are	be	AUX
ecletica-165	116	20	localized	localize	VERB
ecletica-165	116	21	the	the	DET
ecletica-165	116	22	orbitals	orbital	NOUN
ecletica-165	116	23	homo	homo	NOUN
ecletica-165	116	24	and	and	CCONJ
ecletica-165	116	25	lumo	lumo	NOUN
ecletica-165	116	26	.	.	PUNCT
ecletica-165	117	1	on	on	ADP
ecletica-165	117	2	the	the	DET
ecletica-165	117	3	other	other	ADJ
ecletica-165	117	4	hand	hand	NOUN
ecletica-165	117	5	,	,	PUNCT
ecletica-165	117	6	the	the	DET
ecletica-165	117	7	inhibitor	inhibitor	NOUN
ecletica-165	117	8	sulfonamide	sulfonamide	NOUN
ecletica-165	117	9	is	be	AUX
ecletica-165	117	10	close	close	ADJ
ecletica-165	117	11	to	to	ADP
ecletica-165	117	12	homo	homo	NOUN
ecletica-165	117	13	and	and	CCONJ
ecletica-165	117	14	lumo	lumo	NOUN
ecletica-165	117	15	orbital	orbital	NOUN
ecletica-165	117	16	at	at	ADP
ecletica-165	117	17	the	the	DET
ecletica-165	117	18	same	same	ADJ
ecletica-165	117	19	time	time	NOUN
ecletica-165	117	20	and	and	CCONJ
ecletica-165	117	21	it	it	PRON
ecletica-165	117	22	has	have	VERB
ecletica-165	117	23	high	high	ADJ
ecletica-165	117	24	bond	bond	NOUN
ecletica-165	117	25	energy	energy	NOUN
ecletica-165	117	26	.	.	PUNCT
ecletica-165	118	1	the	the	DET
ecletica-165	118	2	sulfonamide	sulfonamide	NOUN
ecletica-165	118	3	has	have	VERB
ecletica-165	118	4	a	a	DET
ecletica-165	118	5	low	low	ADJ
ecletica-165	118	6	ic50	ic50	PROPN
ecletica-165	118	7	indicating	indicate	VERB
ecletica-165	118	8	that	that	SCONJ
ecletica-165	118	9	less	less	ADJ
ecletica-165	118	10	quantity	quantity	NOUN
ecletica-165	118	11	of	of	ADP
ecletica-165	118	12	molecule	molecule	NOUN
ecletica-165	118	13	is	be	AUX
ecletica-165	118	14	necessary	necessary	ADJ
ecletica-165	118	15	to	to	PART
ecletica-165	118	16	inhibit	inhibit	VERB
ecletica-165	118	17	fak	fak	PROPN
ecletica-165	118	18	.	.	PUNCT
ecletica-165	119	1	the	the	DET
ecletica-165	119	2	thiazole	thiazole	NOUN
ecletica-165	119	3	has	have	VERB
ecletica-165	119	4	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	NOUN
ecletica-165	119	5	original	original	ADJ
ecletica-165	119	6	article	article	NOUN
ecletica-165	119	7	16	16	NUM
ecletica-165	119	8	eclética	eclética	PROPN
ecletica-165	119	9	química	química	PROPN
ecletica-165	119	10	journal	journal	PROPN
ecletica-165	119	11	,	,	PUNCT
ecletica-165	119	12	vol	vol	NOUN
ecletica-165	119	13	.	.	PROPN
ecletica-165	119	14	43	43	NUM
ecletica-165	119	15	,	,	PUNCT
ecletica-165	119	16	n.	n.	NOUN
ecletica-165	119	17	3	3	NUM
ecletica-165	119	18	,	,	PUNCT
ecletica-165	119	19	2018	2018	NUM
ecletica-165	119	20	,	,	PUNCT
ecletica-165	119	21	10	10	NUM
ecletica-165	119	22	-	-	SYM
ecletica-165	119	23	18	18	NUM
ecletica-165	119	24	issn	issn	NOUN
ecletica-165	119	25	:	:	PUNCT
ecletica-165	119	26	1678	1678	NUM
ecletica-165	119	27	-	-	SYM
ecletica-165	119	28	4618	4618	NUM
ecletica-165	119	29	doi	doi	NOUN
ecletica-165	119	30	:	:	PUNCT
ecletica-165	119	31	10.26850/1678	10.26850/1678	NUM
ecletica-165	119	32	-	-	SYM
ecletica-165	119	33	4618eqj.v43.3.2018.p10	4618eqj.v43.3.2018.p10	NUM
ecletica-165	119	34	-	-	SYM
ecletica-165	119	35	18	18	NUM
ecletica-165	119	36	unknown	unknown	ADJ
ecletica-165	119	37	quantity	quantity	NOUN
ecletica-165	119	38	experimental	experimental	ADJ
ecletica-165	119	39	data	datum	NOUN
ecletica-165	119	40	(	(	PUNCT
ecletica-165	119	41	ic50	ic50	PROPN
ecletica-165	119	42	)	)	PUNCT
ecletica-165	119	43	.	.	PUNCT
ecletica-165	120	1	these	these	DET
ecletica-165	120	2	data	datum	NOUN
ecletica-165	120	3	can	can	AUX
ecletica-165	120	4	reveal	reveal	VERB
ecletica-165	120	5	that	that	DET
ecletica-165	120	6	thiazole	thiazole	NOUN
ecletica-165	120	7	can	can	AUX
ecletica-165	120	8	be	be	AUX
ecletica-165	120	9	not	not	PART
ecletica-165	120	10	a	a	DET
ecletica-165	120	11	good	good	ADJ
ecletica-165	120	12	inhibitor	inhibitor	NOUN
ecletica-165	120	13	to	to	ADP
ecletica-165	120	14	fak	fak	PROPN
ecletica-165	120	15	.	.	PUNCT
ecletica-165	121	1	4	4	X
ecletica-165	121	2	.	.	X
ecletica-165	121	3	conclusions	conclusion	NOUN
ecletica-165	121	4	we	we	PRON
ecletica-165	121	5	studied	study	VERB
ecletica-165	121	6	two	two	NUM
ecletica-165	121	7	inhibitors	inhibitor	NOUN
ecletica-165	121	8	using	use	VERB
ecletica-165	121	9	two	two	NUM
ecletica-165	121	10	kinds	kind	NOUN
ecletica-165	121	11	of	of	ADP
ecletica-165	121	12	calculations	calculation	NOUN
ecletica-165	121	13	(	(	PUNCT
ecletica-165	121	14	molecular	molecular	ADJ
ecletica-165	121	15	dynamic	dynamic	ADJ
ecletica-165	121	16	and	and	CCONJ
ecletica-165	121	17	oniom	oniom	ADJ
ecletica-165	121	18	quantum	quantum	ADJ
ecletica-165	121	19	mechanical	mechanical	ADJ
ecletica-165	121	20	approach	approach	NOUN
ecletica-165	121	21	)	)	PUNCT
ecletica-165	121	22	.	.	PUNCT
ecletica-165	122	1	both	both	DET
ecletica-165	122	2	calculations	calculation	NOUN
ecletica-165	122	3	show	show	VERB
ecletica-165	122	4	similar	similar	ADJ
ecletica-165	122	5	hydrogen	hydrogen	NOUN
ecletica-165	122	6	bonds	bond	NOUN
ecletica-165	122	7	to	to	ADP
ecletica-165	122	8	the	the	DET
ecletica-165	122	9	inhibitors	inhibitor	NOUN
ecletica-165	122	10	compared	compare	VERB
ecletica-165	122	11	with	with	ADP
ecletica-165	122	12	atp	atp	NOUN
ecletica-165	122	13	molecule	molecule	NOUN
ecletica-165	122	14	.	.	PUNCT
ecletica-165	123	1	however	however	ADV
ecletica-165	123	2	,	,	PUNCT
ecletica-165	123	3	the	the	DET
ecletica-165	123	4	hydrogen	hydrogen	NOUN
ecletica-165	123	5	bond	bond	NOUN
ecletica-165	123	6	distances	distance	NOUN
ecletica-165	123	7	and	and	CCONJ
ecletica-165	123	8	the	the	DET
ecletica-165	123	9	bond	bond	NOUN
ecletica-165	123	10	energies	energy	NOUN
ecletica-165	123	11	are	be	AUX
ecletica-165	123	12	different	different	ADJ
ecletica-165	123	13	to	to	ADP
ecletica-165	123	14	inhibitors	inhibitor	NOUN
ecletica-165	123	15	.	.	PUNCT
ecletica-165	124	1	sulfonamide	sulfonamide	NOUN
ecletica-165	124	2	has	have	VERB
ecletica-165	124	3	a	a	DET
ecletica-165	124	4	strong	strong	ADJ
ecletica-165	124	5	hydrogen	hydrogen	NOUN
ecletica-165	124	6	bond	bond	NOUN
ecletica-165	124	7	with	with	ADP
ecletica-165	124	8	the	the	DET
ecletica-165	124	9	amino	amino	NOUN
ecletica-165	124	10	acids	acid	NOUN
ecletica-165	124	11	glu500	glu500	PROPN
ecletica-165	124	12	and	and	CCONJ
ecletica-165	124	13	cys502	cys502	PROPN
ecletica-165	124	14	while	while	SCONJ
ecletica-165	124	15	the	the	DET
ecletica-165	124	16	thiazole	thiazole	NOUN
ecletica-165	124	17	inhibitor	inhibitor	NOUN
ecletica-165	124	18	has	have	VERB
ecletica-165	124	19	a	a	DET
ecletica-165	124	20	weak	weak	ADJ
ecletica-165	124	21	hydrogen	hydrogen	NOUN
ecletica-165	124	22	bond	bond	NOUN
ecletica-165	124	23	with	with	ADP
ecletica-165	124	24	these	these	DET
ecletica-165	124	25	amino	amino	ADJ
ecletica-165	124	26	acids	acid	NOUN
ecletica-165	124	27	.	.	PUNCT
ecletica-165	125	1	molecular	molecular	ADJ
ecletica-165	125	2	dynamics	dynamic	NOUN
ecletica-165	125	3	show	show	VERB
ecletica-165	125	4	close	close	ADJ
ecletica-165	125	5	hydrogen	hydrogen	NOUN
ecletica-165	125	6	bonds	bond	NOUN
ecletica-165	125	7	to	to	PART
ecletica-165	125	8	sulfonamide	sulfonamide	VERB
ecletica-165	125	9	and	and	CCONJ
ecletica-165	125	10	long	long	ADJ
ecletica-165	125	11	hydrogen	hydrogen	NOUN
ecletica-165	125	12	bond	bond	NOUN
ecletica-165	125	13	distances	distance	NOUN
ecletica-165	125	14	to	to	ADP
ecletica-165	125	15	thiazole	thiazole	NOUN
ecletica-165	125	16	.	.	PUNCT
ecletica-165	126	1	homo	homo	NOUN
ecletica-165	126	2	orbital	orbital	NOUN
ecletica-165	126	3	is	be	AUX
ecletica-165	126	4	localized	localize	VERB
ecletica-165	126	5	close	close	ADV
ecletica-165	126	6	to	to	ADP
ecletica-165	126	7	amino	amino	NOUN
ecletica-165	126	8	acid	acid	NOUN
ecletica-165	126	9	glu500	glu500	PROPN
ecletica-165	126	10	in	in	ADP
ecletica-165	126	11	the	the	DET
ecletica-165	126	12	binding	bind	VERB
ecletica-165	126	13	site	site	NOUN
ecletica-165	126	14	.	.	PUNCT
ecletica-165	127	1	atp	atp	PROPN
ecletica-165	127	2	and	and	CCONJ
ecletica-165	127	3	sulfonamide	sulfonamide	NOUN
ecletica-165	127	4	are	be	AUX
ecletica-165	127	5	close	close	ADJ
ecletica-165	127	6	to	to	ADP
ecletica-165	127	7	this	this	DET
ecletica-165	127	8	orbital	orbital	NOUN
ecletica-165	127	9	while	while	SCONJ
ecletica-165	127	10	the	the	DET
ecletica-165	127	11	thiazole	thiazole	NOUN
ecletica-165	127	12	is	be	AUX
ecletica-165	127	13	far	far	ADV
ecletica-165	127	14	from	from	ADP
ecletica-165	127	15	the	the	DET
ecletica-165	127	16	homo	homo	NOUN
ecletica-165	127	17	orbital	orbital	NOUN
ecletica-165	127	18	.	.	PUNCT
ecletica-165	128	1	there	there	PRON
ecletica-165	128	2	is	be	VERB
ecletica-165	128	3	no	no	DET
ecletica-165	128	4	number	number	NOUN
ecletica-165	128	5	of	of	ADP
ecletica-165	128	6	activity	activity	NOUN
ecletica-165	128	7	(	(	PUNCT
ecletica-165	128	8	ic50	ic50	PROPN
ecletica-165	128	9	)	)	PUNCT
ecletica-165	128	10	to	to	PART
ecletica-165	128	11	thiazole	thiazole	NOUN
ecletica-165	128	12	.	.	PUNCT
ecletica-165	129	1	however	however	ADV
ecletica-165	129	2	,	,	PUNCT
ecletica-165	129	3	these	these	DET
ecletica-165	129	4	results	result	NOUN
ecletica-165	129	5	show	show	VERB
ecletica-165	129	6	that	that	SCONJ
ecletica-165	129	7	thiazole	thiazole	NOUN
ecletica-165	129	8	molecule	molecule	NOUN
ecletica-165	129	9	could	could	AUX
ecletica-165	129	10	have	have	VERB
ecletica-165	129	11	a	a	DET
ecletica-165	129	12	low	low	ADJ
ecletica-165	129	13	experimental	experimental	ADJ
ecletica-165	129	14	activity	activity	NOUN
ecletica-165	129	15	against	against	ADP
ecletica-165	129	16	fak	fak	PROPN
ecletica-165	129	17	,	,	PUNCT
ecletica-165	129	18	because	because	SCONJ
ecletica-165	129	19	the	the	DET
ecletica-165	129	20	sulfonamide	sulfonamide	NOUN
ecletica-165	129	21	inhibitor	inhibitor	NOUN
ecletica-165	129	22	has	have	VERB
ecletica-165	129	23	high	high	ADJ
ecletica-165	129	24	activity	activity	NOUN
ecletica-165	129	25	with	with	ADP
ecletica-165	129	26	close	close	ADJ
ecletica-165	129	27	hydrogen	hydrogen	NOUN
ecletica-165	129	28	bonds	bond	NOUN
ecletica-165	129	29	to	to	ADP
ecletica-165	129	30	the	the	DET
ecletica-165	129	31	amino	amino	NOUN
ecletica-165	129	32	acids	acid	NOUN
ecletica-165	129	33	(	(	PUNCT
ecletica-165	129	34	including	include	VERB
ecletica-165	129	35	the	the	DET
ecletica-165	129	36	amino	amino	ADJ
ecletica-165	129	37	acids	acid	NOUN
ecletica-165	129	38	where	where	SCONJ
ecletica-165	129	39	are	be	AUX
ecletica-165	129	40	located	locate	VERB
ecletica-165	129	41	homo	homo	NOUN
ecletica-165	129	42	and	and	CCONJ
ecletica-165	129	43	lumo	lumo	NOUN
ecletica-165	129	44	orbitals	orbital	NOUN
ecletica-165	129	45	)	)	PUNCT
ecletica-165	129	46	of	of	ADP
ecletica-165	129	47	the	the	DET
ecletica-165	129	48	catalytic	catalytic	ADJ
ecletica-165	129	49	site	site	NOUN
ecletica-165	129	50	at	at	ADP
ecletica-165	129	51	the	the	DET
ecletica-165	129	52	same	same	ADJ
ecletica-165	129	53	time	time	NOUN
ecletica-165	129	54	it	it	PRON
ecletica-165	129	55	has	have	VERB
ecletica-165	129	56	strong	strong	ADJ
ecletica-165	129	57	hydrogen	hydrogen	NOUN
ecletica-165	129	58	bonds	bond	NOUN
ecletica-165	129	59	with	with	ADP
ecletica-165	129	60	these	these	DET
ecletica-165	129	61	amino	amino	ADJ
ecletica-165	129	62	acids	acid	NOUN
ecletica-165	129	63	.	.	PUNCT
ecletica-165	130	1	5	5	X
ecletica-165	130	2	.	.	X
ecletica-165	130	3	acknowledgments	acknowledgment	NOUN
ecletica-165	130	4	i	i	PRON
ecletica-165	130	5	am	be	AUX
ecletica-165	130	6	grateful	grateful	ADJ
ecletica-165	130	7	for	for	ADP
ecletica-165	130	8	the	the	DET
ecletica-165	130	9	technological	technological	ADJ
ecletica-165	130	10	support	support	NOUN
ecletica-165	130	11	of	of	ADP
ecletica-165	130	12	lqc	lqc	NOUN
ecletica-165	130	13	(	(	PUNCT
ecletica-165	130	14	laboratory	laboratory	NOUN
ecletica-165	130	15	of	of	ADP
ecletica-165	130	16	computational	computational	ADJ
ecletica-165	130	17	chemistryunb	chemistryunb	NOUN
ecletica-165	130	18	)	)	PUNCT
ecletica-165	130	19	.	.	PUNCT
ecletica-165	131	1	6	6	X
ecletica-165	131	2	.	.	NUM
ecletica-165	131	3	references	reference	NOUN
ecletica-165	131	4	[	[	X
ecletica-165	131	5	1	1	NUM
ecletica-165	131	6	]	]	PUNCT
ecletica-165	131	7	mccubrey	mccubrey	PROPN
ecletica-165	131	8	,	,	PUNCT
ecletica-165	131	9	j.	j.	PROPN
ecletica-165	131	10	a.	a.	PROPN
ecletica-165	131	11	,	,	PUNCT
ecletica-165	131	12	abrams	abrams	PROPN
ecletica-165	131	13	,	,	PUNCT
ecletica-165	131	14	s.	s.	PROPN
ecletica-165	131	15	l.	l.	PROPN
ecletica-165	131	16	,	,	PUNCT
ecletica-165	131	17	stadelman	stadelman	PROPN
ecletica-165	131	18	,	,	PUNCT
ecletica-165	131	19	k.	k.	PROPN
ecletica-165	131	20	,	,	PUNCT
ecletica-165	131	21	chappell	chappell	PROPN
ecletica-165	131	22	,	,	PUNCT
ecletica-165	131	23	w.	w.	PROPN
ecletica-165	131	24	h.	h.	PROPN
ecletica-165	131	25	,	,	PUNCT
ecletica-165	131	26	lahair	lahair	NOUN
ecletica-165	131	27	,	,	PUNCT
ecletica-165	131	28	m.	m.	NOUN
ecletica-165	131	29	,	,	PUNCT
ecletica-165	131	30	ferland	ferland	NOUN
ecletica-165	131	31	,	,	PUNCT
ecletica-165	131	32	r.	r.	PROPN
ecletica-165	131	33	a.	a.	PROPN
ecletica-165	131	34	,	,	PUNCT
ecletica-165	131	35	steelman	steelman	PROPN
ecletica-165	131	36	,	,	PUNCT
ecletica-165	131	37	l.	l.	PROPN
ecletica-165	131	38	s.	s.	PROPN
ecletica-165	131	39	,	,	PUNCT
ecletica-165	131	40	targeting	target	VERB
ecletica-165	131	41	signal	signal	NOUN
ecletica-165	131	42	transduction	transduction	NOUN
ecletica-165	131	43	pathways	pathway	NOUN
ecletica-165	131	44	to	to	PART
ecletica-165	131	45	eliminate	eliminate	VERB
ecletica-165	131	46	chemotherapeutic	chemotherapeutic	ADJ
ecletica-165	131	47	drug	drug	NOUN
ecletica-165	131	48	resistance	resistance	NOUN
ecletica-165	131	49	and	and	CCONJ
ecletica-165	131	50	cancer	cancer	NOUN
ecletica-165	131	51	stem	stem	NOUN
ecletica-165	131	52	cells	cell	NOUN
ecletica-165	131	53	,	,	PUNCT
ecletica-165	131	54	adv	adv	PROPN
ecletica-165	131	55	.	.	PUNCT
ecletica-165	132	1	enzyme	enzyme	NOUN
ecletica-165	132	2	regu	regu	NOUN
ecletica-165	132	3	.	.	PUNCT
ecletica-165	133	1	50	50	NUM
ecletica-165	133	2	(	(	PUNCT
ecletica-165	133	3	2010	2010	NUM
ecletica-165	133	4	)	)	PUNCT
ecletica-165	133	5	285	285	NUM
ecletica-165	133	6	-	-	SYM
ecletica-165	133	7	307	307	NUM
ecletica-165	133	8	.	.	PUNCT
ecletica-165	134	1	https://doi.org/10.1016/j.advenzreg.2009.10.016	https://doi.org/10.1016/j.advenzreg.2009.10.016	NOUN
ecletica-165	134	2	.	.	PUNCT
ecletica-165	135	1	[	[	X
ecletica-165	135	2	2	2	NUM
ecletica-165	135	3	]	]	PUNCT
ecletica-165	135	4	collins	collin	NOUN
ecletica-165	135	5	,	,	PUNCT
ecletica-165	135	6	i.	i.	PROPN
ecletica-165	135	7	,	,	PUNCT
ecletica-165	135	8	workman	workman	NOUN
ecletica-165	135	9	,	,	PUNCT
ecletica-165	135	10	p.	p.	NOUN
ecletica-165	135	11	,	,	PUNCT
ecletica-165	135	12	design	design	NOUN
ecletica-165	135	13	and	and	CCONJ
ecletica-165	135	14	development	development	NOUN
ecletica-165	135	15	of	of	ADP
ecletica-165	135	16	signal	signal	ADJ
ecletica-165	135	17	transduction	transduction	NOUN
ecletica-165	135	18	inhibitors	inhibitor	NOUN
ecletica-165	135	19	for	for	ADP
ecletica-165	135	20	cancer	cancer	NOUN
ecletica-165	135	21	treatment	treatment	NOUN
ecletica-165	135	22	:	:	PUNCT
ecletica-165	135	23	experience	experience	NOUN
ecletica-165	135	24	and	and	CCONJ
ecletica-165	135	25	challenges	challenge	NOUN
ecletica-165	135	26	with	with	ADP
ecletica-165	135	27	kinase	kinase	NOUN
ecletica-165	135	28	targets	target	NOUN
ecletica-165	135	29	,	,	PUNCT
ecletica-165	135	30	current	current	ADJ
ecletica-165	135	31	signal	signal	NOUN
ecletica-165	135	32	transduction	transduction	NOUN
ecletica-165	135	33	therapy	therapy	NOUN
ecletica-165	135	34	1	1	NUM
ecletica-165	135	35	(	(	PUNCT
ecletica-165	135	36	1	1	NUM
ecletica-165	135	37	)	)	PUNCT
ecletica-165	135	38	(	(	PUNCT
ecletica-165	135	39	2006	2006	NUM
ecletica-165	135	40	)	)	PUNCT
ecletica-165	135	41	13	13	NUM
ecletica-165	135	42	-	-	SYM
ecletica-165	135	43	23	23	NUM
ecletica-165	135	44	.	.	PUNCT
ecletica-165	136	1	https://doi.org/10.2174/157436206775269181	https://doi.org/10.2174/157436206775269181	X
ecletica-165	136	2	.	.	PUNCT
ecletica-165	137	1	[	[	X
ecletica-165	137	2	3	3	NUM
ecletica-165	137	3	]	]	PUNCT
ecletica-165	137	4	fulda	fulda	NOUN
ecletica-165	137	5	,	,	PUNCT
ecletica-165	137	6	s.	s.	PROPN
ecletica-165	137	7	,	,	PUNCT
ecletica-165	137	8	debatin	debatin	PROPN
ecletica-165	137	9	,	,	PUNCT
ecletica-165	137	10	k.-m	k.-m	PROPN
ecletica-165	137	11	.	.	PROPN
ecletica-165	137	12	,	,	PUNCT
ecletica-165	137	13	signal	signal	VERB
ecletica-165	137	14	transduction	transduction	NOUN
ecletica-165	137	15	therapy	therapy	NOUN
ecletica-165	137	16	targeting	target	VERB
ecletica-165	137	17	apoptosis	apoptosis	NOUN
ecletica-165	137	18	pathways	pathway	NOUN
ecletica-165	137	19	in	in	ADP
ecletica-165	137	20	cancers	cancer	NOUN
ecletica-165	137	21	,	,	PUNCT
ecletica-165	137	22	current	current	ADJ
ecletica-165	137	23	signal	signal	NOUN
ecletica-165	137	24	transduction	transduction	NOUN
ecletica-165	137	25	therapy	therapy	NOUN
ecletica-165	137	26	1	1	NUM
ecletica-165	137	27	(	(	PUNCT
ecletica-165	137	28	2	2	NUM
ecletica-165	137	29	)	)	PUNCT
ecletica-165	137	30	(	(	PUNCT
ecletica-165	137	31	2006	2006	NUM
ecletica-165	137	32	)	)	PUNCT
ecletica-165	137	33	179	179	NUM
ecletica-165	137	34	-	-	SYM
ecletica-165	137	35	190	190	NUM
ecletica-165	137	36	.	.	PUNCT
ecletica-165	138	1	https://doi.org/10.2174/157436206777012075	https://doi.org/10.2174/157436206777012075	PROPN
ecletica-165	138	2	.	.	PUNCT
ecletica-165	139	1	[	[	X
ecletica-165	139	2	4	4	NUM
ecletica-165	139	3	]	]	X
ecletica-165	139	4	klein	klein	PROPN
ecletica-165	139	5	,	,	PUNCT
ecletica-165	139	6	s.	s.	PROPN
ecletica-165	139	7	,	,	PUNCT
ecletica-165	139	8	levitzki	levitzki	PROPN
ecletica-165	139	9	,	,	PUNCT
ecletica-165	139	10	a.	a.	NOUN
ecletica-165	139	11	,	,	PUNCT
ecletica-165	139	12	signal	signal	VERB
ecletica-165	139	13	transduction	transduction	NOUN
ecletica-165	139	14	therapy	therapy	NOUN
ecletica-165	139	15	for	for	ADP
ecletica-165	139	16	cancer	cancer	NOUN
ecletica-165	139	17	whither	whither	NOUN
ecletica-165	139	18	now	now	ADV
ecletica-165	139	19	?	?	PUNCT
ecletica-165	140	1	current	current	ADJ
ecletica-165	140	2	signal	signal	NOUN
ecletica-165	140	3	transduction	transduction	NOUN
ecletica-165	140	4	therapy	therapy	NOUN
ecletica-165	140	5	1	1	NUM
ecletica-165	140	6	(	(	PUNCT
ecletica-165	140	7	1	1	NUM
ecletica-165	140	8	)	)	PUNCT
ecletica-165	140	9	(	(	PUNCT
ecletica-165	140	10	2006	2006	NUM
ecletica-165	140	11	)	)	PUNCT
ecletica-165	140	12	1	1	NUM
ecletica-165	140	13	-	-	SYM
ecletica-165	140	14	12	12	NUM
ecletica-165	140	15	.	.	PUNCT
ecletica-165	141	1	https://doi.org/10.2174/157436206775269244	https://doi.org/10.2174/157436206775269244	ADJ
ecletica-165	141	2	.	.	PUNCT
ecletica-165	142	1	[	[	X
ecletica-165	142	2	5	5	NUM
ecletica-165	142	3	]	]	PUNCT
ecletica-165	142	4	christoffersen	christoffersen	NOUN
ecletica-165	142	5	,	,	PUNCT
ecletica-165	142	6	t.	t.	PROPN
ecletica-165	142	7	,	,	PUNCT
ecletica-165	142	8	guren	guren	PROPN
ecletica-165	142	9	,	,	PUNCT
ecletica-165	142	10	t.	t.	PROPN
ecletica-165	142	11	k.	k.	PROPN
ecletica-165	142	12	,	,	PUNCT
ecletica-165	142	13	spindler	spindler	PROPN
ecletica-165	142	14	,	,	PUNCT
ecletica-165	142	15	k.l	k.l	PROPN
ecletica-165	142	16	.	.	PROPN
ecletica-165	142	17	g.	g.	PROPN
ecletica-165	142	18	,	,	PUNCT
ecletica-165	142	19	dahl	dahl	PROPN
ecletica-165	142	20	,	,	PUNCT
ecletica-165	142	21	o.	o.	NOUN
ecletica-165	142	22	,	,	PUNCT
ecletica-165	142	23	lonning	lonning	NOUN
ecletica-165	142	24	,	,	PUNCT
ecletica-165	142	25	p.	p.	PROPN
ecletica-165	142	26	e.	e.	PROPN
ecletica-165	142	27	,	,	PUNCT
ecletica-165	142	28	gjertsen	gjertsen	PROPN
ecletica-165	142	29	,	,	PUNCT
ecletica-165	142	30	b.	b.	PROPN
ecletica-165	142	31	t.	t.	PROPN
ecletica-165	142	32	,	,	PUNCT
ecletica-165	142	33	cancer	cancer	NOUN
ecletica-165	142	34	therapy	therapy	NOUN
ecletica-165	142	35	targeted	target	VERB
ecletica-165	142	36	at	at	ADP
ecletica-165	142	37	cellular	cellular	ADJ
ecletica-165	142	38	signal	signal	NOUN
ecletica-165	142	39	transduction	transduction	NOUN
ecletica-165	142	40	mechanisms	mechanism	NOUN
ecletica-165	142	41	:	:	PUNCT
ecletica-165	142	42	strategies	strategy	NOUN
ecletica-165	142	43	,	,	PUNCT
ecletica-165	142	44	clinical	clinical	ADJ
ecletica-165	142	45	results	result	NOUN
ecletica-165	142	46	,	,	PUNCT
ecletica-165	142	47	and	and	CCONJ
ecletica-165	142	48	unresolved	unresolved	ADJ
ecletica-165	142	49	issues	issue	NOUN
ecletica-165	142	50	,	,	PUNCT
ecletica-165	142	51	european	european	PROPN
ecletica-165	142	52	journal	journal	PROPN
ecletica-165	142	53	of	of	ADP
ecletica-165	142	54	pharmacology	pharmacology	NOUN
ecletica-165	142	55	625	625	NUM
ecletica-165	142	56	(	(	PUNCT
ecletica-165	142	57	2009	2009	NUM
ecletica-165	142	58	)	)	PUNCT
ecletica-165	142	59	6	6	NUM
ecletica-165	142	60	-	-	SYM
ecletica-165	142	61	22	22	NUM
ecletica-165	142	62	.	.	PUNCT
ecletica-165	143	1	https://doi.org/10.1016/j.ejphar.2009.10.009	https://doi.org/10.1016/j.ejphar.2009.10.009	X
ecletica-165	143	2	.	.	PUNCT
ecletica-165	144	1	[	[	X
ecletica-165	144	2	6	6	NUM
ecletica-165	144	3	]	]	X
ecletica-165	144	4	bidwell	bidwell	PROPN
ecletica-165	144	5	,	,	PUNCT
ecletica-165	144	6	g.	g.	PROPN
ecletica-165	144	7	l.	l.	PROPN
ecletica-165	144	8	iii	iii	PROPN
ecletica-165	144	9	,	,	PUNCT
ecletica-165	144	10	raucher	raucher	ADV
ecletica-165	144	11	,	,	PUNCT
ecletica-165	144	12	d.	d.	PROPN
ecletica-165	144	13	,	,	PUNCT
ecletica-165	144	14	therapeutic	therapeutic	ADJ
ecletica-165	144	15	peptides	peptide	NOUN
ecletica-165	144	16	for	for	ADP
ecletica-165	144	17	cancer	cancer	NOUN
ecletica-165	144	18	therapy	therapy	NOUN
ecletica-165	144	19	.	.	PUNCT
ecletica-165	145	1	part	part	NOUN
ecletica-165	145	2	i	i	PRON
ecletica-165	145	3	peptide	peptide	VERB
ecletica-165	145	4	inhibitors	inhibitor	NOUN
ecletica-165	145	5	of	of	ADP
ecletica-165	145	6	signal	signal	ADJ
ecletica-165	145	7	transduction	transduction	NOUN
ecletica-165	145	8	cascades	cascade	NOUN
ecletica-165	145	9	,	,	PUNCT
ecletica-165	145	10	expert	expert	ADJ
ecletica-165	145	11	opinion	opinion	NOUN
ecletica-165	145	12	on	on	ADP
ecletica-165	145	13	drug	drug	NOUN
ecletica-165	145	14	delivery	delivery	NOUN
ecletica-165	145	15	6	6	NUM
ecletica-165	145	16	(	(	PUNCT
ecletica-165	145	17	10	10	NUM
ecletica-165	145	18	)	)	PUNCT
ecletica-165	145	19	(	(	PUNCT
ecletica-165	145	20	2009	2009	NUM
ecletica-165	145	21	)	)	PUNCT
ecletica-165	145	22	10331047	10331047	NUM
ecletica-165	145	23	.	.	PUNCT
ecletica-165	146	1	https://doi.org/10.1517/17425240903143745	https://doi.org/10.1517/17425240903143745	ADJ
ecletica-165	146	2	.	.	PUNCT
ecletica-165	147	1	[	[	X
ecletica-165	147	2	7	7	NUM
ecletica-165	147	3	]	]	SYM
ecletica-165	147	4	levitzki	levitzki	NOUN
ecletica-165	147	5	,	,	PUNCT
ecletica-165	147	6	a.	a.	PROPN
ecletica-165	147	7	,	,	PUNCT
ecletica-165	147	8	klein	klein	PROPN
ecletica-165	147	9	,	,	PUNCT
ecletica-165	147	10	s.	s.	PROPN
ecletica-165	147	11	,	,	PUNCT
ecletica-165	147	12	signal	signal	VERB
ecletica-165	147	13	transduction	transduction	NOUN
ecletica-165	147	14	therapy	therapy	NOUN
ecletica-165	147	15	of	of	ADP
ecletica-165	147	16	cancer	cancer	NOUN
ecletica-165	147	17	,	,	PUNCT
ecletica-165	147	18	molecular	molecular	ADJ
ecletica-165	147	19	aspects	aspect	NOUN
ecletica-165	147	20	of	of	ADP
ecletica-165	147	21	medicine	medicine	NOUN
ecletica-165	147	22	31	31	NUM
ecletica-165	147	23	(	(	PUNCT
ecletica-165	147	24	4	4	NUM
ecletica-165	147	25	)	)	PUNCT
ecletica-165	147	26	(	(	PUNCT
ecletica-165	147	27	2010	2010	NUM
ecletica-165	147	28	)	)	PUNCT
ecletica-165	147	29	287	287	NUM
ecletica-165	147	30	-	-	SYM
ecletica-165	147	31	329	329	NUM
ecletica-165	147	32	.	.	PUNCT
ecletica-165	148	1	https://doi.org/10.1016/j.mam.2010.04.001	https://doi.org/10.1016/j.mam.2010.04.001	PROPN
ecletica-165	148	2	.	.	PUNCT
ecletica-165	149	1	[	[	X
ecletica-165	149	2	8	8	NUM
ecletica-165	149	3	]	]	X
ecletica-165	149	4	huang	huang	PROPN
ecletica-165	149	5	,	,	PUNCT
ecletica-165	149	6	s.-m	s.-m	PROPN
ecletica-165	149	7	.	.	PROPN
ecletica-165	149	8	,	,	PUNCT
ecletica-165	149	9	hsu	hsu	PROPN
ecletica-165	149	10	,	,	PUNCT
ecletica-165	149	11	p.-c	p.-c	PROPN
ecletica-165	149	12	.	.	PUNCT
ecletica-165	149	13	,	,	PUNCT
ecletica-165	149	14	chen	chen	PROPN
ecletica-165	149	15	,	,	PUNCT
ecletica-165	149	16	m.-y	m.-y	PROPN
ecletica-165	149	17	.	.	PUNCT
ecletica-165	149	18	,	,	PUNCT
ecletica-165	149	19	li	li	PROPN
ecletica-165	149	20	,	,	PUNCT
ecletica-165	149	21	w.s	w.s	PROPN
ecletica-165	149	22	.	.	PROPN
ecletica-165	149	23	,	,	PUNCT
ecletica-165	149	24	more	more	ADV
ecletica-165	149	25	,	,	PUNCT
ecletica-165	149	26	s.	s.	PROPN
ecletica-165	149	27	v.	v.	PROPN
ecletica-165	149	28	,	,	PUNCT
ecletica-165	149	29	lu	lu	PROPN
ecletica-165	149	30	,	,	PUNCT
ecletica-165	149	31	k.-t	k.-t	PROPN
ecletica-165	149	32	.	.	PUNCT
ecletica-165	149	33	,	,	PUNCT
ecletica-165	149	34	wang	wang	PROPN
ecletica-165	149	35	,	,	PUNCT
ecletica-165	149	36	y.-c	y.-c	PROPN
ecletica-165	149	37	.	.	PROPN
ecletica-165	149	38	,	,	PUNCT
ecletica-165	149	39	the	the	DET
ecletica-165	149	40	novel	novel	ADJ
ecletica-165	149	41	indole	indole	NOUN
ecletica-165	149	42	compound	compound	NOUN
ecletica-165	149	43	sk228	sk228	PROPN
ecletica-165	149	44	induces	induce	VERB
ecletica-165	149	45	apoptosis	apoptosis	NOUN
ecletica-165	149	46	and	and	CCONJ
ecletica-165	149	47	fak	fak	PROPN
ecletica-165	149	48	/	/	SYM
ecletica-165	149	49	paxillin	paxillin	NOUN
ecletica-165	149	50	disruption	disruption	NOUN
ecletica-165	149	51	in	in	ADP
ecletica-165	149	52	tumor	tumor	NOUN
ecletica-165	149	53	cell	cell	NOUN
ecletica-165	149	54	lines	line	NOUN
ecletica-165	149	55	and	and	CCONJ
ecletica-165	149	56	inhibits	inhibit	VERB
ecletica-165	149	57	growth	growth	NOUN
ecletica-165	149	58	of	of	ADP
ecletica-165	149	59	tumor	tumor	NOUN
ecletica-165	149	60	graft	graft	NOUN
ecletica-165	149	61	in	in	ADP
ecletica-165	149	62	the	the	DET
ecletica-165	149	63	nude	nude	ADJ
ecletica-165	149	64	mouse	mouse	NOUN
ecletica-165	149	65	,	,	PUNCT
ecletica-165	149	66	international	international	ADJ
ecletica-165	149	67	journal	journal	NOUN
ecletica-165	149	68	of	of	ADP
ecletica-165	149	69	cancer	cancer	NOUN
ecletica-165	149	70	131	131	NUM
ecletica-165	149	71	(	(	PUNCT
ecletica-165	149	72	2012	2012	NUM
ecletica-165	149	73	)	)	PUNCT
ecletica-165	149	74	722732	722732	NUM
ecletica-165	149	75	.	.	PUNCT
ecletica-165	150	1	https://doi.org/10.1002/ijc.26401	https://doi.org/10.1002/ijc.26401	NOUN
ecletica-165	150	2	.	.	PUNCT
ecletica-165	151	1	[	[	X
ecletica-165	151	2	9	9	NUM
ecletica-165	151	3	]	]	X
ecletica-165	151	4	chang	chang	PROPN
ecletica-165	151	5	,	,	PUNCT
ecletica-165	151	6	s.	s.	PROPN
ecletica-165	151	7	k.	k.	PROPN
ecletica-165	151	8	,	,	PUNCT
ecletica-165	151	9	hindes	hinde	NOUN
ecletica-165	151	10	,	,	PUNCT
ecletica-165	151	11	a.	a.	NOUN
ecletica-165	151	12	,	,	PUNCT
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ecletica-165	151	14	,	,	PUNCT
ecletica-165	151	15	l.	l.	PROPN
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ecletica-165	151	17	,	,	PUNCT
ecletica-165	151	18	efimova	efimova	PROPN
ecletica-165	151	19	,	,	PUNCT
ecletica-165	151	20	t.	t.	NOUN
ecletica-165	151	21	,	,	PUNCT
ecletica-165	151	22	proline	proline	NOUN
ecletica-165	151	23	-	-	PUNCT
ecletica-165	151	24	rich	rich	ADJ
ecletica-165	151	25	tyrosine	tyrosine	NOUN
ecletica-165	151	26	kinase	kinase	NOUN
ecletica-165	151	27	2	2	PROPN
ecletica-165	151	28	(	(	PUNCT
ecletica-165	151	29	pyk2	pyk2	NOUN
ecletica-165	151	30	)	)	PUNCT
ecletica-165	151	31	,	,	PUNCT
ecletica-165	151	32	a	a	DET
ecletica-165	151	33	focal	focal	ADJ
ecletica-165	151	34	adhesion	adhesion	NOUN
ecletica-165	151	35	kinase	kinase	NOUN
ecletica-165	151	36	(	(	PUNCT
ecletica-165	151	37	fak	fak	PROPN
ecletica-165	151	38	)	)	PUNCT
ecletica-165	151	39	homologue	homologue	NOUN
ecletica-165	151	40	,	,	PUNCT
ecletica-165	151	41	induces	induce	VERB
ecletica-165	151	42	apoptosis	apoptosis	NOUN
ecletica-165	151	43	in	in	ADP
ecletica-165	151	44	human	human	ADJ
ecletica-165	151	45	malignant	malignant	ADJ
ecletica-165	151	46	metastatic	metastatic	ADJ
ecletica-165	151	47	melanoma	melanoma	NOUN
ecletica-165	151	48	,	,	PUNCT
ecletica-165	151	49	journal	journal	NOUN
ecletica-165	151	50	of	of	ADP
ecletica-165	151	51	investigative	investigative	ADJ
ecletica-165	151	52	dermatology	dermatology	NOUN
ecletica-165	151	53	132	132	NUM
ecletica-165	151	54	(	(	PUNCT
ecletica-165	151	55	2012	2012	NUM
ecletica-165	151	56	)	)	PUNCT
ecletica-165	151	57	130	130	NUM
ecletica-165	151	58	-	-	SYM
ecletica-165	151	59	130	130	NUM
ecletica-165	151	60	.	.	PUNCT
ecletica-165	152	1	https://doi.org/10.2353/ajpath.2008.080292	https://doi.org/10.2353/ajpath.2008.080292	PROPN
ecletica-165	152	2	.	.	PUNCT
ecletica-165	153	1	[	[	X
ecletica-165	153	2	10	10	NUM
ecletica-165	153	3	]	]	X
ecletica-165	153	4	kwak	kwak	PROPN
ecletica-165	153	5	,	,	PUNCT
ecletica-165	153	6	s.	s.	PROPN
ecletica-165	153	7	w.	w.	PROPN
ecletica-165	153	8	,	,	PUNCT
ecletica-165	153	9	park	park	PROPN
ecletica-165	153	10	,	,	PUNCT
ecletica-165	153	11	e.	e.	PROPN
ecletica-165	153	12	s.	s.	PROPN
ecletica-165	153	13	,	,	PUNCT
ecletica-165	153	14	lee	lee	PROPN
ecletica-165	153	15	,	,	PUNCT
ecletica-165	153	16	c.	c.	PROPN
ecletica-165	153	17	s.	s.	PROPN
ecletica-165	153	18	,	,	PUNCT
ecletica-165	153	19	parthenolide	parthenolide	NOUN
ecletica-165	153	20	induces	induce	VERB
ecletica-165	153	21	apoptosis	apoptosis	NOUN
ecletica-165	153	22	by	by	ADP
ecletica-165	153	23	activating	activate	VERB
ecletica-165	153	24	the	the	DET
ecletica-165	153	25	mitochondrial	mitochondrial	ADJ
ecletica-165	153	26	and	and	CCONJ
ecletica-165	153	27	death	death	NOUN
ecletica-165	153	28	receptor	receptor	NOUN
ecletica-165	153	29	pathways	pathway	NOUN
ecletica-165	153	30	and	and	CCONJ
ecletica-165	153	31	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	https://doi.org/10.26850/1678-4618eqj.v43.3.2018.p10-18	NOUN
ecletica-165	153	32	https://doi.org/10.1016/j.advenzreg.2009.10.016	https://doi.org/10.1016/j.advenzreg.2009.10.016	PROPN
ecletica-165	153	33	https://doi.org/10.1016/j.advenzreg.2009.10.016	https://doi.org/10.1016/j.advenzreg.2009.10.016	PROPN
ecletica-165	153	34	https://doi.org/10.1016/j.advenzreg.2009.10.016	https://doi.org/10.1016/j.advenzreg.2009.10.016	PROPN
ecletica-165	153	35	https://doi.org/10.1016/j.advenzreg.2009.10.016	https://doi.org/10.1016/j.advenzreg.2009.10.016	PROPN
ecletica-165	153	36	https://doi.org/10.1016/j.advenzreg.2009.10.016	https://doi.org/10.1016/j.advenzreg.2009.10.016	PROPN
ecletica-165	153	37	https://doi.org/10.1016/j.advenzreg.2009.10.016	https://doi.org/10.1016/j.advenzreg.2009.10.016	PROPN
ecletica-165	153	38	https://doi.org/10.1016/j.advenzreg.2009.10.016	https://doi.org/10.1016/j.advenzreg.2009.10.016	PROPN
ecletica-165	153	39	https://doi.org/10.2174/157436206775269181	https://doi.org/10.2174/157436206775269181	INTJ
ecletica-165	154	1	https://doi.org/10.2174/157436206775269181	https://doi.org/10.2174/157436206775269181	INTJ
ecletica-165	155	1	https://doi.org/10.2174/157436206775269181	https://doi.org/10.2174/157436206775269181	INTJ
ecletica-165	156	1	https://doi.org/10.2174/157436206775269181	https://doi.org/10.2174/157436206775269181	INTJ
ecletica-165	157	1	https://doi.org/10.2174/157436206775269181	https://doi.org/10.2174/157436206775269181	INTJ
ecletica-165	158	1	https://doi.org/10.2174/157436206775269181	https://doi.org/10.2174/157436206775269181	INTJ
ecletica-165	158	2	https://doi.org/10.2174/157436206777012075	https://doi.org/10.2174/157436206777012075	PROPN
ecletica-165	159	1	https://doi.org/10.2174/157436206777012075	https://doi.org/10.2174/157436206777012075	PROPN
ecletica-165	159	2	https://doi.org/10.2174/157436206777012075	https://doi.org/10.2174/157436206777012075	PROPN
ecletica-165	160	1	https://doi.org/10.2174/157436206777012075	https://doi.org/10.2174/157436206777012075	PROPN
ecletica-165	160	2	https://doi.org/10.2174/157436206777012075	https://doi.org/10.2174/157436206777012075	X
ecletica-165	161	1	https://doi.org/10.2174/157436206775269244	https://doi.org/10.2174/157436206775269244	ADV
ecletica-165	161	2	https://doi.org/10.2174/157436206775269244	https://doi.org/10.2174/157436206775269244	ADV
ecletica-165	161	3	https://doi.org/10.2174/157436206775269244	https://doi.org/10.2174/157436206775269244	ADV
ecletica-165	161	4	https://doi.org/10.2174/157436206775269244	https://doi.org/10.2174/157436206775269244	X
ecletica-165	161	5	https://doi.org/10.1016/j.ejphar.2009.10.009	https://doi.org/10.1016/j.ejphar.2009.10.009	PROPN
ecletica-165	161	6	https://doi.org/10.1016/j.ejphar.2009.10.009	https://doi.org/10.1016/j.ejphar.2009.10.009	PROPN
ecletica-165	161	7	https://doi.org/10.1016/j.ejphar.2009.10.009	https://doi.org/10.1016/j.ejphar.2009.10.009	PROPN
ecletica-165	161	8	https://doi.org/10.1016/j.ejphar.2009.10.009	https://doi.org/10.1016/j.ejphar.2009.10.009	PROPN
ecletica-165	161	9	https://doi.org/10.1016/j.ejphar.2009.10.009	https://doi.org/10.1016/j.ejphar.2009.10.009	PROPN
ecletica-165	161	10	https://doi.org/10.1016/j.ejphar.2009.10.009	https://doi.org/10.1016/j.ejphar.2009.10.009	PROPN
ecletica-165	161	11	https://doi.org/10.1016/j.ejphar.2009.10.009	https://doi.org/10.1016/j.ejphar.2009.10.009	PROPN
ecletica-165	161	12	https://doi.org/10.1517/17425240903143745	https://doi.org/10.1517/17425240903143745	ADV
ecletica-165	161	13	https://doi.org/10.1517/17425240903143745	https://doi.org/10.1517/17425240903143745	ADJ
ecletica-165	161	14	https://doi.org/10.1517/17425240903143745	https://doi.org/10.1517/17425240903143745	ADJ
ecletica-165	161	15	https://doi.org/10.1517/17425240903143745	https://doi.org/10.1517/17425240903143745	ADJ
ecletica-165	161	16	https://doi.org/10.1517/17425240903143745	https://doi.org/10.1517/17425240903143745	ADJ
ecletica-165	161	17	https://doi.org/10.1517/17425240903143745	https://doi.org/10.1517/17425240903143745	ADJ
ecletica-165	161	18	https://doi.org/10.1016/j.mam.2010.04.001	https://doi.org/10.1016/j.mam.2010.04.001	PROPN
ecletica-165	162	1	https://doi.org/10.1016/j.mam.2010.04.001	https://doi.org/10.1016/j.mam.2010.04.001	PROPN
ecletica-165	163	1	https://doi.org/10.1016/j.mam.2010.04.001	https://doi.org/10.1016/j.mam.2010.04.001	PROPN
ecletica-165	164	1	https://doi.org/10.1016/j.mam.2010.04.001	https://doi.org/10.1016/j.mam.2010.04.001	PROPN
ecletica-165	165	1	https://doi.org/10.1002/ijc.26401	https://doi.org/10.1002/ijc.26401	PROPN
ecletica-165	165	2	https://doi.org/10.1002/ijc.26401	https://doi.org/10.1002/ijc.26401	PROPN
ecletica-165	165	3	https://doi.org/10.1002/ijc.26401	https://doi.org/10.1002/ijc.26401	PROPN
ecletica-165	165	4	https://doi.org/10.1002/ijc.26401	https://doi.org/10.1002/ijc.26401	PROPN
ecletica-165	165	5	https://doi.org/10.1002/ijc.26401	https://doi.org/10.1002/ijc.26401	PROPN
ecletica-165	165	6	https://doi.org/10.1002/ijc.26401	https://doi.org/10.1002/ijc.26401	PROPN
ecletica-165	165	7	https://doi.org/10.1002/ijc.26401	https://doi.org/10.1002/ijc.26401	PROPN
ecletica-165	165	8	https://doi.org/10.2353/ajpath.2008.080292	https://doi.org/10.2353/ajpath.2008.080292	PROPN
ecletica-165	165	9	https://doi.org/10.2353/ajpath.2008.080292	https://doi.org/10.2353/ajpath.2008.080292	PROPN
ecletica-165	165	10	https://doi.org/10.2353/ajpath.2008.080292	https://doi.org/10.2353/ajpath.2008.080292	PROPN
ecletica-165	165	11	https://doi.org/10.2353/ajpath.2008.080292	https://doi.org/10.2353/ajpath.2008.080292	PROPN
ecletica-165	165	12	https://doi.org/10.2353/ajpath.2008.080292	https://doi.org/10.2353/ajpath.2008.080292	PROPN
ecletica-165	165	13	https://doi.org/10.2353/ajpath.2008.080292	https://doi.org/10.2353/ajpath.2008.080292	PROPN
ecletica-165	165	14	https://doi.org/10.2353/ajpath.2008.080292	https://doi.org/10.2353/ajpath.2008.080292	PROPN
ecletica-165	165	15	https://doi.org/10.1007/s11010-013-1822-4	https://doi.org/10.1007/s11010-013-1822-4	VERB
ecletica-165	165	16	https://doi.org/10.1007/s11010-013-1822-4	https://doi.org/10.1007/s11010-013-1822-4	NUM
ecletica-165	165	17	https://doi.org/10.1007/s11010-013-1822-4	https://doi.org/10.1007/s11010-013-1822-4	NUM
ecletica-165	165	18	original	original	ADJ
ecletica-165	165	19	article	article	NOUN
ecletica-165	165	20	17	17	NUM
ecletica-165	165	21	eclética	eclética	PROPN
ecletica-165	165	22	química	química	PROPN
ecletica-165	165	23	journal	journal	PROPN
ecletica-165	165	24	,	,	PUNCT
ecletica-165	165	25	vol	vol	NOUN
ecletica-165	165	26	.	.	PROPN
ecletica-165	165	27	43	43	NUM
ecletica-165	165	28	,	,	PUNCT
ecletica-165	165	29	n.	n.	NOUN
ecletica-165	165	30	3	3	NUM
ecletica-165	165	31	,	,	PUNCT
ecletica-165	165	32	2018	2018	NUM
ecletica-165	165	33	,	,	PUNCT
ecletica-165	165	34	10	10	NUM
ecletica-165	165	35	-	-	SYM
ecletica-165	165	36	18	18	NUM
ecletica-165	165	37	issn	issn	NOUN
ecletica-165	165	38	:	:	PUNCT
ecletica-165	165	39	1678	1678	NUM
ecletica-165	165	40	-	-	SYM
ecletica-165	165	41	4618	4618	NUM
ecletica-165	165	42	doi	doi	NOUN
ecletica-165	165	43	:	:	PUNCT
ecletica-165	165	44	10.26850/1678	10.26850/1678	NUM
ecletica-165	165	45	-	-	SYM
ecletica-165	165	46	4618eqj.v43.3.2018.p10	4618eqj.v43.3.2018.p10	NUM
ecletica-165	165	47	-	-	SYM
ecletica-165	165	48	18	18	NUM
ecletica-165	165	49	inhibits	inhibit	VERB
ecletica-165	165	50	fak	fak	PROPN
ecletica-165	165	51	-	-	PUNCT
ecletica-165	165	52	mediated	mediate	VERB
ecletica-165	165	53	cell	cell	NOUN
ecletica-165	165	54	invasion	invasion	NOUN
ecletica-165	165	55	,	,	PUNCT
ecletica-165	165	56	molecular	molecular	ADJ
ecletica-165	165	57	and	and	CCONJ
ecletica-165	165	58	cellular	cellular	ADJ
ecletica-165	165	59	biochemistry	biochemistry	NOUN
ecletica-165	165	60	385	385	NUM
ecletica-165	165	61	(	(	PUNCT
ecletica-165	165	62	2014	2014	NUM
ecletica-165	165	63	)	)	PUNCT
ecletica-165	165	64	133	133	NUM
ecletica-165	165	65	-	-	SYM
ecletica-165	165	66	144	144	NUM
ecletica-165	165	67	.	.	PUNCT
ecletica-165	165	68	https://doi.org/10.1007/s11010-013-1822-4	https://doi.org/10.1007/s11010-013-1822-4	NOUN
ecletica-165	165	69	.	.	PUNCT
ecletica-165	166	1	[	[	X
ecletica-165	166	2	11	11	NUM
ecletica-165	166	3	]	]	SYM
ecletica-165	166	4	shieh	shieh	ADJ
ecletica-165	166	5	,	,	PUNCT
ecletica-165	166	6	j.-m	j.-m	PROPN
ecletica-165	166	7	.	.	PUNCT
ecletica-165	166	8	,	,	PUNCT
ecletica-165	166	9	wei	wei	PROPN
ecletica-165	166	10	,	,	PUNCT
ecletica-165	166	11	t.-t	t.-t	NOUN
ecletica-165	166	12	.	.	PUNCT
ecletica-165	166	13	,	,	PUNCT
ecletica-165	166	14	tang	tang	PROPN
ecletica-165	166	15	,	,	PUNCT
ecletica-165	166	16	y.-a	y.-a	NOUN
ecletica-165	166	17	.	.	PROPN
ecletica-165	166	18	,	,	PUNCT
ecletica-165	166	19	huang	huang	PROPN
ecletica-165	166	20	,	,	PUNCT
ecletica-165	166	21	s.-m	s.-m	PROPN
ecletica-165	166	22	.	.	PUNCT
ecletica-165	166	23	,	,	PUNCT
ecletica-165	166	24	wen	wen	PROPN
ecletica-165	166	25	,	,	PUNCT
ecletica-165	166	26	w.-l	w.-l	PROPN
ecletica-165	166	27	.	.	PUNCT
ecletica-165	166	28	,	,	PUNCT
ecletica-165	166	29	chen	chen	PROPN
ecletica-165	166	30	,	,	PUNCT
ecletica-165	166	31	m.-y	m.-y	PROPN
ecletica-165	166	32	.	.	PUNCT
ecletica-165	166	33	,	,	PUNCT
ecletica-165	166	34	cheng	cheng	PROPN
ecletica-165	166	35	,	,	PUNCT
ecletica-165	166	36	h.-c	h.-c	PROPN
ecletica-165	166	37	.	.	PUNCT
ecletica-165	166	38	,	,	PUNCT
ecletica-165	166	39	salunke	salunke	PROPN
ecletica-165	166	40	,	,	PUNCT
ecletica-165	166	41	s.	s.	PROPN
ecletica-165	166	42	b.	b.	PROPN
ecletica-165	166	43	,	,	PUNCT
ecletica-165	166	44	chen	chen	PROPN
ecletica-165	166	45	,	,	PUNCT
ecletica-165	166	46	c.-s	c.-	NOUN
ecletica-165	166	47	.	.	PROPN
ecletica-165	166	48	,	,	PUNCT
ecletica-165	166	49	lin	lin	PROPN
ecletica-165	166	50	,	,	PUNCT
ecletica-165	166	51	p.	p.	PROPN
ecletica-165	166	52	,	,	PUNCT
ecletica-165	166	53	chen	chen	PROPN
ecletica-165	166	54	,	,	PUNCT
ecletica-165	166	55	c.-t	c.-t	PROPN
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ecletica-165	166	57	,	,	PUNCT
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ecletica-165	166	59	,	,	PUNCT
ecletica-165	166	60	y.-c	y.-c	PROPN
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ecletica-165	166	62	,	,	PUNCT
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ecletica-165	166	65	and	and	CCONJ
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ecletica-165	166	68	disruption	disruption	NOUN
ecletica-165	166	69	by	by	ADP
ecletica-165	166	70	a	a	DET
ecletica-165	166	71	novel	novel	ADJ
ecletica-165	166	72	histone	histone	NOUN
ecletica-165	166	73	deacetylase	deacetylase	NOUN
ecletica-165	166	74	inhibitor	inhibitor	NOUN
ecletica-165	166	75	,	,	PUNCT
ecletica-165	166	76	htpb	htpb	ADV
ecletica-165	166	77	,	,	PUNCT
ecletica-165	166	78	in	in	ADP
ecletica-165	166	79	antitumor	antitumor	PROPN
ecletica-165	166	80	and	and	CCONJ
ecletica-165	166	81	antimetastatic	antimetastatic	ADJ
ecletica-165	166	82	mouse	mouse	NOUN
ecletica-165	166	83	models	model	NOUN
ecletica-165	166	84	,	,	PUNCT
ecletica-165	166	85	plos	plos	PROPN
ecletica-165	166	86	one	one	NUM
ecletica-165	166	87	7	7	NUM
ecletica-165	166	88	(	(	PUNCT
ecletica-165	166	89	1	1	NUM
ecletica-165	166	90	)	)	PUNCT
ecletica-165	166	91	(	(	PUNCT
ecletica-165	166	92	2012	2012	NUM
ecletica-165	166	93	)	)	PUNCT
ecletica-165	166	94	e30240	e30240	NOUN
ecletica-165	166	95	.	.	PUNCT
ecletica-165	167	1	https://doi.org/10.1371/journal.pone.0030240	https://doi.org/10.1371/journal.pone.0030240	PROPN
ecletica-165	167	2	.	.	PUNCT
ecletica-165	168	1	[	[	X
ecletica-165	168	2	12	12	NUM
ecletica-165	168	3	]	]	X
ecletica-165	168	4	yoon	yoon	PROPN
ecletica-165	168	5	,	,	PUNCT
ecletica-165	168	6	h.	h.	PROPN
ecletica-165	168	7	,	,	PUNCT
ecletica-165	168	8	choi	choi	NOUN
ecletica-165	168	9	,	,	PUNCT
ecletica-165	168	10	y.-l	y.-l	NOUN
ecletica-165	168	11	.	.	PUNCT
ecletica-165	168	12	,	,	PUNCT
ecletica-165	168	13	song	song	NOUN
ecletica-165	168	14	,	,	PUNCT
ecletica-165	168	15	j.-y	j.-y	PROPN
ecletica-165	168	16	.	.	PUNCT
ecletica-165	168	17	,	,	PUNCT
ecletica-165	168	18	do	do	AUX
ecletica-165	168	19	,	,	PUNCT
ecletica-165	168	20	i.	i.	PROPN
ecletica-165	168	21	,	,	PUNCT
ecletica-165	168	22	kang	kang	PROPN
ecletica-165	168	23	,	,	PUNCT
ecletica-165	168	24	s.	s.	PROPN
ecletica-165	168	25	y.	y.	PROPN
ecletica-165	168	26	,	,	PUNCT
ecletica-165	168	27	ko	ko	PROPN
ecletica-165	168	28	,	,	PUNCT
ecletica-165	168	29	y.-h	y.-h	PROPN
ecletica-165	168	30	.	.	PROPN
ecletica-165	168	31	,	,	PUNCT
ecletica-165	168	32	song	song	PROPN
ecletica-165	168	33	,	,	PUNCT
ecletica-165	168	34	s.	s.	PROPN
ecletica-165	168	35	,	,	PUNCT
ecletica-165	168	36	kim	kim	PROPN
ecletica-165	168	37	,	,	PUNCT
ecletica-165	168	38	b.-g	b.-g	PROPN
ecletica-165	168	39	.	.	PUNCT
ecletica-165	168	40	,	,	PUNCT
ecletica-165	168	41	targeted	target	VERB
ecletica-165	168	42	inhibition	inhibition	NOUN
ecletica-165	168	43	of	of	ADP
ecletica-165	168	44	fak	fak	NOUN
ecletica-165	168	45	,	,	PUNCT
ecletica-165	168	46	pyk2	pyk2	NOUN
ecletica-165	168	47	and	and	CCONJ
ecletica-165	168	48	bcl	bcl	PROPN
ecletica-165	168	49	-	-	PUNCT
ecletica-165	168	50	xl	xl	PROPN
ecletica-165	168	51	synergistically	synergistically	ADV
ecletica-165	168	52	enhances	enhance	VERB
ecletica-165	168	53	apoptosis	apoptosis	NOUN
ecletica-165	168	54	in	in	ADP
ecletica-165	168	55	ovarian	ovarian	ADJ
ecletica-165	168	56	clear	clear	ADJ
ecletica-165	168	57	cell	cell	NOUN
ecletica-165	168	58	carcinoma	carcinoma	NOUN
ecletica-165	168	59	cell	cell	NOUN
ecletica-165	168	60	lines	line	NOUN
ecletica-165	168	61	,	,	PUNCT
ecletica-165	168	62	plos	plos	PROPN
ecletica-165	168	63	one	one	NUM
ecletica-165	168	64	9	9	NUM
ecletica-165	168	65	(	(	PUNCT
ecletica-165	168	66	2	2	NUM
ecletica-165	168	67	)	)	PUNCT
ecletica-165	168	68	(	(	PUNCT
ecletica-165	168	69	2014	2014	NUM
ecletica-165	168	70	)	)	PUNCT
ecletica-165	168	71	e88587	e88587	PROPN
ecletica-165	168	72	.	.	PUNCT
ecletica-165	169	1	https://doi.org/10.1371/journal.pone.0088587	https://doi.org/10.1371/journal.pone.0088587	ADJ
ecletica-165	169	2	.	.	PUNCT
ecletica-165	170	1	[	[	X
ecletica-165	170	2	13	13	NUM
ecletica-165	170	3	]	]	SYM
ecletica-165	170	4	vanamala	vanamala	NOUN
ecletica-165	170	5	,	,	PUNCT
ecletica-165	170	6	j.	j.	PROPN
ecletica-165	170	7	,	,	PUNCT
ecletica-165	170	8	radhakrishnan	radhakrishnan	PROPN
ecletica-165	170	9	,	,	PUNCT
ecletica-165	170	10	s.	s.	PROPN
ecletica-165	170	11	,	,	PUNCT
ecletica-165	170	12	reddivari	reddivari	PROPN
ecletica-165	170	13	,	,	PUNCT
ecletica-165	170	14	l.	l.	PROPN
ecletica-165	170	15	,	,	PUNCT
ecletica-165	170	16	bhat	bhat	PROPN
ecletica-165	170	17	,	,	PUNCT
ecletica-165	170	18	v.	v.	PROPN
ecletica-165	170	19	b.	b.	PROPN
ecletica-165	170	20	,	,	PUNCT
ecletica-165	170	21	ptitsyn	ptitsyn	PROPN
ecletica-165	170	22	,	,	PUNCT
ecletica-165	170	23	a.	a.	NOUN
ecletica-165	170	24	,	,	PUNCT
ecletica-165	170	25	resveratrol	resveratrol	NOUN
ecletica-165	170	26	suppresses	suppress	VERB
ecletica-165	170	27	human	human	ADJ
ecletica-165	170	28	colon	colon	NOUN
ecletica-165	170	29	cancer	cancer	NOUN
ecletica-165	170	30	cell	cell	NOUN
ecletica-165	170	31	proliferation	proliferation	NOUN
ecletica-165	170	32	and	and	CCONJ
ecletica-165	170	33	induces	induce	VERB
ecletica-165	170	34	apoptosis	apoptosis	NOUN
ecletica-165	170	35	via	via	ADP
ecletica-165	170	36	targeting	target	VERB
ecletica-165	170	37	the	the	DET
ecletica-165	170	38	pentose	pentose	NOUN
ecletica-165	170	39	phosphate	phosphate	NOUN
ecletica-165	170	40	and	and	CCONJ
ecletica-165	170	41	the	the	DET
ecletica-165	170	42	talin	talin	NOUN
ecletica-165	170	43	-	-	PUNCT
ecletica-165	170	44	fak	fak	NOUN
ecletica-165	170	45	signaling	signal	VERB
ecletica-165	170	46	pathways	pathway	NOUN
ecletica-165	170	47	-	-	PUNCT
ecletica-165	170	48	a	a	DET
ecletica-165	170	49	proteomic	proteomic	ADJ
ecletica-165	170	50	approach	approach	NOUN
ecletica-165	170	51	,	,	PUNCT
ecletica-165	170	52	proteome	proteome	ADJ
ecletica-165	170	53	science	science	NOUN
ecletica-165	170	54	9	9	NUM
ecletica-165	170	55	(	(	PUNCT
ecletica-165	170	56	1	1	NUM
ecletica-165	170	57	)	)	PUNCT
ecletica-165	170	58	(	(	PUNCT
ecletica-165	170	59	2011	2011	NUM
ecletica-165	170	60	)	)	PUNCT
ecletica-165	170	61	49	49	NUM
ecletica-165	170	62	.	.	PUNCT
ecletica-165	171	1	https://doi.org/10.1186/1477-5956-9-49	https://doi.org/10.1186/1477-5956-9-49	NOUN
ecletica-165	171	2	.	.	PUNCT
ecletica-165	172	1	[	[	X
ecletica-165	172	2	14	14	NUM
ecletica-165	172	3	]	]	SYM
ecletica-165	172	4	kanteti	kanteti	PROPN
ecletica-165	172	5	,	,	PUNCT
ecletica-165	172	6	r.	r.	PROPN
ecletica-165	172	7	,	,	PUNCT
ecletica-165	172	8	mirzapoiazova	mirzapoiazova	X
ecletica-165	172	9	,	,	PUNCT
ecletica-165	172	10	t.	t.	PROPN
ecletica-165	172	11	,	,	PUNCT
ecletica-165	172	12	riehm	riehm	VERB
ecletica-165	172	13	,	,	PUNCT
ecletica-165	172	14	j.	j.	PROPN
ecletica-165	172	15	j.	j.	PROPN
ecletica-165	172	16	,	,	PUNCT
ecletica-165	172	17	dhanasingh	dhanasingh	PROPN
ecletica-165	172	18	,	,	PUNCT
ecletica-165	172	19	i.	i.	NOUN
ecletica-165	172	20	,	,	PUNCT
ecletica-165	172	21	mambetsariev	mambetsariev	PROPN
ecletica-165	172	22	,	,	PUNCT
ecletica-165	172	23	b.	b.	PROPN
ecletica-165	172	24	,	,	PUNCT
ecletica-165	172	25	wang	wang	PROPN
ecletica-165	172	26	,	,	PUNCT
ecletica-165	172	27	j.	j.	PROPN
ecletica-165	172	28	,	,	PUNCT
ecletica-165	172	29	kulkarni	kulkarni	PROPN
ecletica-165	172	30	,	,	PUNCT
ecletica-165	172	31	p.	p.	PROPN
ecletica-165	172	32	,	,	PUNCT
ecletica-165	172	33	kaushik	kaushik	PROPN
ecletica-165	172	34	,	,	PUNCT
ecletica-165	172	35	g.	g.	PROPN
ecletica-165	172	36	,	,	PUNCT
ecletica-165	172	37	seshacharyulu	seshacharyulu	VERB
ecletica-165	172	38	,	,	PUNCT
ecletica-165	172	39	p.	p.	NOUN
ecletica-165	172	40	,	,	PUNCT
ecletica-165	172	41	ponnusamy	ponnusamy	NOUN
ecletica-165	172	42	,	,	PUNCT
ecletica-165	172	43	m.	m.	NOUN
ecletica-165	172	44	p.	p.	PROPN
ecletica-165	172	45	,	,	PUNCT
ecletica-165	172	46	kindler	kindl	ADJ
ecletica-165	172	47	,	,	PUNCT
ecletica-165	172	48	h.	h.	PROPN
ecletica-165	172	49	l.	l.	PROPN
ecletica-165	172	50	,	,	PUNCT
ecletica-165	172	51	nasser	nasser	PROPN
ecletica-165	172	52	,	,	PUNCT
ecletica-165	172	53	m.	m.	PROPN
ecletica-165	172	54	w.	w.	PROPN
ecletica-165	172	55	,	,	PUNCT
ecletica-165	172	56	batra	batra	PROPN
ecletica-165	172	57	,	,	PUNCT
ecletica-165	172	58	s.	s.	PROPN
ecletica-165	172	59	k.	k.	PROPN
ecletica-165	172	60	,	,	PUNCT
ecletica-165	172	61	salgia	salgia	PROPN
ecletica-165	172	62	,	,	PUNCT
ecletica-165	172	63	r.	r.	PROPN
ecletica-165	172	64	,	,	PUNCT
ecletica-165	172	65	focal	focal	ADJ
ecletica-165	172	66	adhesion	adhesion	NOUN
ecletica-165	172	67	kinase	kinase	VERB
ecletica-165	172	68	a	a	DET
ecletica-165	172	69	potential	potential	ADJ
ecletica-165	172	70	therapeutic	therapeutic	ADJ
ecletica-165	172	71	target	target	NOUN
ecletica-165	172	72	for	for	ADP
ecletica-165	172	73	pancreatic	pancreatic	ADJ
ecletica-165	172	74	cancer	cancer	NOUN
ecletica-165	172	75	and	and	CCONJ
ecletica-165	172	76	malignant	malignant	ADJ
ecletica-165	172	77	pleural	pleural	ADJ
ecletica-165	172	78	mesothelioma	mesothelioma	NOUN
ecletica-165	172	79	,	,	PUNCT
ecletica-165	172	80	cancer	cancer	NOUN
ecletica-165	172	81	biology	biology	NOUN
ecletica-165	172	82	therapy	therapy	NOUN
ecletica-165	172	83	19	19	NUM
ecletica-165	172	84	(	(	PUNCT
ecletica-165	172	85	4	4	NUM
ecletica-165	172	86	)	)	PUNCT
ecletica-165	172	87	(	(	PUNCT
ecletica-165	172	88	2018	2018	NUM
ecletica-165	172	89	)	)	PUNCT
ecletica-165	172	90	316	316	NUM
ecletica-165	172	91	-	-	SYM
ecletica-165	172	92	327	327	NUM
ecletica-165	172	93	.	.	PUNCT
ecletica-165	173	1	https://doi.org/10.1080/15384047.2017.1416937	https://doi.org/10.1080/15384047.2017.1416937	PROPN
ecletica-165	173	2	.	.	PUNCT
ecletica-165	174	1	[	[	X
ecletica-165	174	2	15	15	NUM
ecletica-165	174	3	]	]	X
ecletica-165	174	4	roberts	roberts	PROPN
ecletica-165	174	5	,	,	PUNCT
ecletica-165	174	6	w.	w.	PROPN
ecletica-165	174	7	g.	g.	PROPN
ecletica-165	174	8	,	,	PUNCT
ecletica-165	174	9	ung	ung	PROPN
ecletica-165	174	10	,	,	PUNCT
ecletica-165	174	11	e.	e.	PROPN
ecletica-165	174	12	,	,	PUNCT
ecletica-165	174	13	whalen	whalen	PROPN
ecletica-165	174	14	,	,	PUNCT
ecletica-165	174	15	p.	p.	PROPN
ecletica-165	174	16	,	,	PUNCT
ecletica-165	174	17	cooper	cooper	PROPN
ecletica-165	174	18	,	,	PUNCT
ecletica-165	174	19	b.	b.	PROPN
ecletica-165	174	20	,	,	PUNCT
ecletica-165	174	21	hulford	hulford	INTJ
ecletica-165	174	22	,	,	PUNCT
ecletica-165	174	23	c.	c.	PROPN
ecletica-165	174	24	,	,	PUNCT
ecletica-165	174	25	autry	autry	PROPN
ecletica-165	174	26	,	,	PUNCT
ecletica-165	174	27	c.	c.	PROPN
ecletica-165	174	28	,	,	PUNCT
ecletica-165	174	29	richter	richter	PROPN
ecletica-165	174	30	,	,	PUNCT
ecletica-165	174	31	d.	d.	PROPN
ecletica-165	174	32	,	,	PUNCT
ecletica-165	174	33	emerson	emerson	PROPN
ecletica-165	174	34	,	,	PUNCT
ecletica-165	174	35	e.	e.	PROPN
ecletica-165	174	36	,	,	PUNCT
ecletica-165	174	37	lin	lin	PROPN
ecletica-165	174	38	,	,	PUNCT
ecletica-165	174	39	j.	j.	PROPN
ecletica-165	174	40	,	,	PUNCT
ecletica-165	174	41	kath	kath	PROPN
ecletica-165	174	42	,	,	PUNCT
ecletica-165	174	43	j.	j.	PROPN
ecletica-165	174	44	,	,	PUNCT
ecletica-165	174	45	coleman	coleman	PROPN
ecletica-165	174	46	,	,	PUNCT
ecletica-165	174	47	k.	k.	PROPN
ecletica-165	174	48	,	,	PUNCT
ecletica-165	174	49	yao	yao	PROPN
ecletica-165	174	50	,	,	PUNCT
ecletica-165	174	51	l.	l.	PROPN
ecletica-165	174	52	,	,	PUNCT
ecletica-165	174	53	martinez	martinez	PROPN
ecletica-165	174	54	-	-	PUNCT
ecletica-165	174	55	alsina	alsina	PROPN
ecletica-165	174	56	,	,	PUNCT
ecletica-165	174	57	l.	l.	PROPN
ecletica-165	174	58	,	,	PUNCT
ecletica-165	174	59	lorenzen	lorenzen	PROPN
ecletica-165	174	60	,	,	PUNCT
ecletica-165	174	61	m.	m.	NOUN
ecletica-165	174	62	,	,	PUNCT
ecletica-165	174	63	berliner	berliner	NOUN
ecletica-165	174	64	,	,	PUNCT
ecletica-165	174	65	m.	m.	NOUN
ecletica-165	174	66	,	,	PUNCT
ecletica-165	174	67	luzzio	luzzio	NOUN
ecletica-165	174	68	,	,	PUNCT
ecletica-165	174	69	m.	m.	NOUN
ecletica-165	174	70	,	,	PUNCT
ecletica-165	174	71	patel	patel	PROPN
ecletica-165	174	72	,	,	PUNCT
ecletica-165	174	73	n.	n.	PROPN
ecletica-165	174	74	,	,	PUNCT
ecletica-165	174	75	schmitt	schmitt	PROPN
ecletica-165	174	76	,	,	PUNCT
ecletica-165	174	77	e.	e.	PROPN
ecletica-165	174	78	,	,	PUNCT
ecletica-165	174	79	lagreca	lagreca	PROPN
ecletica-165	174	80	,	,	PUNCT
ecletica-165	174	81	s.	s.	PROPN
ecletica-165	174	82	,	,	PUNCT
ecletica-165	174	83	jani	jani	PROPN
ecletica-165	174	84	,	,	PUNCT
ecletica-165	174	85	j.	j.	PROPN
ecletica-165	174	86	,	,	PUNCT
ecletica-165	174	87	wessel	wessel	PROPN
ecletica-165	174	88	,	,	PUNCT
ecletica-165	174	89	m.	m.	NOUN
ecletica-165	174	90	,	,	PUNCT
ecletica-165	174	91	marr	marr	PROPN
ecletica-165	174	92	,	,	PUNCT
ecletica-165	174	93	e.	e.	PROPN
ecletica-165	174	94	,	,	PUNCT
ecletica-165	174	95	griffor	griffor	PROPN
ecletica-165	174	96	,	,	PUNCT
ecletica-165	174	97	m.	m.	NOUN
ecletica-165	174	98	,	,	PUNCT
ecletica-165	174	99	vajdos	vajdo	NOUN
ecletica-165	174	100	,	,	PUNCT
ecletica-165	174	101	f.	f.	PROPN
ecletica-165	174	102	,	,	PUNCT
ecletica-165	174	103	antitumor	antitumor	NOUN
ecletica-165	174	104	activity	activity	NOUN
ecletica-165	174	105	and	and	CCONJ
ecletica-165	174	106	pharmacology	pharmacology	NOUN
ecletica-165	174	107	of	of	ADP
ecletica-165	174	108	a	a	DET
ecletica-165	174	109	selective	selective	ADJ
ecletica-165	174	110	focal	focal	ADJ
ecletica-165	174	111	adhesion	adhesion	NOUN
ecletica-165	174	112	kinase	kinase	NOUN
ecletica-165	174	113	inhibitor	inhibitor	NOUN
ecletica-165	174	114	,	,	PUNCT
ecletica-165	174	115	pf562,271	pf562,271	NOUN
ecletica-165	174	116	,	,	PUNCT
ecletica-165	174	117	cancer	cancer	NOUN
ecletica-165	174	118	r.	r.	PROPN
ecletica-165	174	119	15	15	NUM
ecletica-165	174	120	(	(	PUNCT
ecletica-165	174	121	2008	2008	NUM
ecletica-165	174	122	)	)	PUNCT
ecletica-165	174	123	1935	1935	NUM
ecletica-165	174	124	-	-	SYM
ecletica-165	174	125	1944	1944	NUM
ecletica-165	174	126	.	.	PUNCT
ecletica-165	175	1	https://doi.org/10.1158/0008-5472.can-07-5155	https://doi.org/10.1158/0008-5472.can-07-5155	X
ecletica-165	175	2	.	.	PUNCT
ecletica-165	176	1	[	[	X
ecletica-165	176	2	16	16	NUM
ecletica-165	176	3	]	]	X
ecletica-165	176	4	koolman	koolman	NOUN
ecletica-165	176	5	,	,	PUNCT
ecletica-165	176	6	h.	h.	PROPN
ecletica-165	176	7	,	,	PUNCT
ecletica-165	176	8	heinrich	heinrich	PROPN
ecletica-165	176	9	,	,	PUNCT
ecletica-165	176	10	t.	t.	PROPN
ecletica-165	176	11	,	,	PUNCT
ecletica-165	176	12	musil	musil	NOUN
ecletica-165	176	13	,	,	PUNCT
ecletica-165	176	14	d.	d.	PROPN
ecletica-165	176	15	,	,	PUNCT
ecletica-165	176	16	cocrystal	cocrystal	ADJ
ecletica-165	176	17	structures	structure	NOUN
ecletica-165	176	18	of	of	ADP
ecletica-165	176	19	fak	fak	PROPN
ecletica-165	176	20	with	with	ADP
ecletica-165	176	21	an	an	DET
ecletica-165	176	22	unprecedented	unprecedented	ADJ
ecletica-165	176	23	pyrrolo[2,3	pyrrolo[2,3	NOUN
ecletica-165	176	24	-	-	ADJ
ecletica-165	176	25	d]thiazole	d]thiazole	ADJ
ecletica-165	176	26	,	,	PUNCT
ecletica-165	176	27	accessed	access	VERB
ecletica-165	176	28	in	in	ADP
ecletica-165	176	29	june	june	PROPN
ecletica-165	176	30	2017	2017	NUM
ecletica-165	176	31	https://www.rcsb.org/structure/3pxk	https://www.rcsb.org/structure/3pxk	PROPN
ecletica-165	176	32	.	.	PUNCT
ecletica-165	177	1	[	[	X
ecletica-165	177	2	17	17	NUM
ecletica-165	177	3	]	]	X
ecletica-165	177	4	barra	barra	PROPN
ecletica-165	177	5	de	de	PROPN
ecletica-165	177	6	oliveira	oliveira	PROPN
ecletica-165	177	7	,	,	PUNCT
ecletica-165	177	8	d.	d.	PROPN
ecletica-165	177	9	a.	a.	PROPN
ecletica-165	177	10	,	,	PUNCT
ecletica-165	177	11	de	de	PROPN
ecletica-165	177	12	oliveira	oliveira	PROPN
ecletica-165	177	13	neto	neto	PROPN
ecletica-165	177	14	,	,	PUNCT
ecletica-165	177	15	m.	m.	NOUN
ecletica-165	177	16	,	,	PUNCT
ecletica-165	177	17	martins	martin	NOUN
ecletica-165	177	18	,	,	PUNCT
ecletica-165	177	19	j.	j.	PROPN
ecletica-165	177	20	b.	b.	PROPN
ecletica-165	177	21	l.	l.	PROPN
ecletica-165	177	22	,	,	PUNCT
ecletica-165	177	23	theoretical	theoretical	ADJ
ecletica-165	177	24	study	study	NOUN
ecletica-165	177	25	of	of	ADP
ecletica-165	177	26	disubstituted	disubstitute	VERB
ecletica-165	177	27	pyrrolopyrimidines	pyrrolopyrimidine	NOUN
ecletica-165	177	28	as	as	ADP
ecletica-165	177	29	focal	focal	ADJ
ecletica-165	177	30	adhesion	adhesion	NOUN
ecletica-165	177	31	kinase	kinase	NOUN
ecletica-165	177	32	inhibitors	inhibitor	NOUN
ecletica-165	177	33	,	,	PUNCT
ecletica-165	177	34	international	international	ADJ
ecletica-165	177	35	journal	journal	NOUN
ecletica-165	177	36	of	of	ADP
ecletica-165	177	37	quantum	quantum	ADJ
ecletica-165	177	38	chemistry	chemistry	NOUN
ecletica-165	177	39	10	10	NUM
ecletica-165	177	40	(	(	PUNCT
ecletica-165	177	41	2012	2012	NUM
ecletica-165	177	42	)	)	PUNCT
ecletica-165	177	43	2324	2324	NUM
ecletica-165	177	44	-	-	SYM
ecletica-165	177	45	2329	2329	NUM
ecletica-165	177	46	.	.	PUNCT
ecletica-165	178	1	https://doi.org/10.1002/qua.23181	https://doi.org/10.1002/qua.23181	PROPN
ecletica-165	178	2	.	.	PUNCT
ecletica-165	179	1	[	[	X
ecletica-165	179	2	18	18	NUM
ecletica-165	179	3	]	]	SYM
ecletica-165	179	4	andersen	andersen	PROPN
ecletica-165	179	5	,	,	PUNCT
ecletica-165	179	6	c.	c.	PROPN
ecletica-165	179	7	b.	b.	PROPN
ecletica-165	179	8	,	,	PUNCT
ecletica-165	179	9	ng	ng	PROPN
ecletica-165	179	10	,	,	PUNCT
ecletica-165	179	11	k.	k.	PROPN
ecletica-165	179	12	,	,	PUNCT
ecletica-165	179	13	ficarro	ficarro	PROPN
ecletica-165	179	14	,	,	PUNCT
ecletica-165	179	15	s.	s.	PROPN
ecletica-165	179	16	,	,	PUNCT
ecletica-165	179	17	vu	vu	PROPN
ecletica-165	179	18	,	,	PUNCT
ecletica-165	179	19	c.	c.	NOUN
ecletica-165	179	20	,	,	PUNCT
ecletica-165	179	21	choi	choi	NOUN
ecletica-165	179	22	,	,	PUNCT
ecletica-165	179	23	h.-s	h.-s	PROPN
ecletica-165	179	24	.	.	PUNCT
ecletica-165	179	25	,	,	PUNCT
ecletica-165	179	26	he	he	PRON
ecletica-165	179	27	,	,	PUNCT
ecletica-165	179	28	y.	y.	PROPN
ecletica-165	179	29	,	,	PUNCT
ecletica-165	179	30	spraggon	spraggon	PROPN
ecletica-165	179	31	,	,	PUNCT
ecletica-165	179	32	g.	g.	PROPN
ecletica-165	179	33	,	,	PUNCT
ecletica-165	179	34	gray	gray	ADJ
ecletica-165	179	35	,	,	PUNCT
ecletica-165	179	36	n.	n.	PROPN
ecletica-165	179	37	,	,	PUNCT
ecletica-165	179	38	lee	lee	PROPN
ecletica-165	179	39	,	,	PUNCT
ecletica-165	179	40	c.	c.	PROPN
ecletica-165	179	41	c.	c.	PROPN
ecletica-165	179	42	,	,	PUNCT
ecletica-165	179	43	crystal	crystal	NOUN
ecletica-165	179	44	structure	structure	NOUN
ecletica-165	179	45	of	of	ADP
ecletica-165	179	46	focal	focal	ADJ
ecletica-165	179	47	adhesion	adhesion	NOUN
ecletica-165	179	48	kinase	kinase	PROPN
ecletica-165	179	49	catalytic	catalytic	ADJ
ecletica-165	179	50	domain	domain	NOUN
ecletica-165	179	51	complexed	complexe	VERB
ecletica-165	179	52	with	with	ADP
ecletica-165	179	53	atp	atp	PROPN
ecletica-165	179	54	and	and	CCONJ
ecletica-165	179	55	novel	novel	ADJ
ecletica-165	179	56	7h	7h	NUM
ecletica-165	179	57	-	-	PUNCT
ecletica-165	179	58	pyrrolo	pyrrolo	NOUN
ecletica-165	179	59	[	[	X
ecletica-165	179	60	2,3	2,3	NUM
ecletica-165	179	61	-	-	SYM
ecletica-165	179	62	d	d	NOUN
ecletica-165	179	63	]	]	PUNCT
ecletica-165	179	64	pyrimidine	pyrimidine	ADJ
ecletica-165	179	65	inhibitor	inhibitor	NOUN
ecletica-165	179	66	scaffolds	scaffold	NOUN
ecletica-165	179	67	,	,	PUNCT
ecletica-165	179	68	accessed	access	VERB
ecletica-165	179	69	in	in	ADP
ecletica-165	179	70	june	june	PROPN
ecletica-165	179	71	2017	2017	NUM
ecletica-165	179	72	.	.	PUNCT
ecletica-165	180	1	https://www.rcsb.org/structure/2ijm	https://www.rcsb.org/structure/2ijm	X
ecletica-165	180	2	.	.	PUNCT
ecletica-165	181	1	[	[	X
ecletica-165	181	2	19	19	NUM
ecletica-165	181	3	]	]	SYM
ecletica-165	181	4	hyperchem(tm	hyperchem(tm	PROPN
ecletica-165	181	5	)	)	PUNCT
ecletica-165	181	6	professional	professional	ADJ
ecletica-165	181	7	7.51	7.51	NUM
ecletica-165	181	8	,	,	PUNCT
ecletica-165	181	9	hypercube	hypercube	NOUN
ecletica-165	181	10	,	,	PUNCT
ecletica-165	181	11	inc	inc	PROPN
ecletica-165	181	12	.	.	PROPN
ecletica-165	181	13	,	,	PUNCT
ecletica-165	181	14	1115	1115	NUM
ecletica-165	181	15	nw	nw	PROPN
ecletica-165	181	16	4th	4th	PROPN
ecletica-165	181	17	street	street	PROPN
ecletica-165	181	18	,	,	PUNCT
ecletica-165	181	19	gainesville	gainesville	PROPN
ecletica-165	181	20	,	,	PUNCT
ecletica-165	181	21	florida	florida	PROPN
ecletica-165	181	22	32601	32601	NUM
ecletica-165	181	23	,	,	PUNCT
ecletica-165	181	24	usa	usa	PROPN
ecletica-165	181	25	.	.	PUNCT
ecletica-165	182	1	[	[	X
ecletica-165	182	2	20	20	NUM
ecletica-165	182	3	]	]	X
ecletica-165	182	4	brooks	brooks	PROPN
ecletica-165	182	5	,	,	PUNCT
ecletica-165	182	6	b.	b.	PROPN
ecletica-165	182	7	r.	r.	PROPN
ecletica-165	182	8	,	,	PUNCT
ecletica-165	182	9	bruccoleri	bruccoleri	PROPN
ecletica-165	182	10	,	,	PUNCT
ecletica-165	182	11	r.	r.	PROPN
ecletica-165	182	12	e.	e.	PROPN
ecletica-165	182	13	,	,	PUNCT
ecletica-165	182	14	olafson	olafson	PROPN
ecletica-165	182	15	,	,	PUNCT
ecletica-165	182	16	b.	b.	PROPN
ecletica-165	182	17	d.	d.	PROPN
ecletica-165	182	18	,	,	PUNCT
ecletica-165	182	19	states	states	PROPN
ecletica-165	182	20	,	,	PUNCT
ecletica-165	182	21	d.	d.	PROPN
ecletica-165	182	22	j.	j.	PROPN
ecletica-165	182	23	,	,	PUNCT
ecletica-165	182	24	swaminathan	swaminathan	ADV
ecletica-165	182	25	,	,	PUNCT
ecletica-165	182	26	s.	s.	PROPN
ecletica-165	182	27	,	,	PUNCT
ecletica-165	182	28	karplus	karplus	PROPN
ecletica-165	182	29	,	,	PUNCT
ecletica-165	182	30	m.	m.	NOUN
ecletica-165	182	31	"	"	PUNCT
ecletica-165	182	32	charmm	charmm	NOUN
ecletica-165	182	33	:	:	PUNCT
ecletica-165	182	34	a	a	DET
ecletica-165	182	35	program	program	NOUN
ecletica-165	182	36	for	for	ADP
ecletica-165	182	37	macromolecular	macromolecular	ADJ
ecletica-165	182	38	energy	energy	NOUN
ecletica-165	182	39	,	,	PUNCT
ecletica-165	182	40	minimization	minimization	NOUN
ecletica-165	182	41	,	,	PUNCT
ecletica-165	182	42	and	and	CCONJ
ecletica-165	182	43	dynamics	dynamic	NOUN
ecletica-165	182	44	calculations	calculation	NOUN
ecletica-165	182	45	"	"	PUNCT
ecletica-165	182	46	,	,	PUNCT
ecletica-165	182	47	j.	j.	PROPN
ecletica-165	182	48	comp	comp	PROPN
ecletica-165	182	49	.	.	PUNCT
ecletica-165	182	50	chem	chem	PROPN
ecletica-165	182	51	.	.	PUNCT
ecletica-165	183	1	4	4	NUM
ecletica-165	183	2	(	(	PUNCT
ecletica-165	183	3	2	2	NUM
ecletica-165	183	4	)	)	PUNCT
ecletica-165	183	5	(	(	PUNCT
ecletica-165	183	6	1983	1983	NUM
ecletica-165	183	7	)	)	PUNCT
ecletica-165	184	1	187–217	187–217	NUM
ecletica-165	184	2	.	.	PUNCT
ecletica-165	185	1	https://doi.org/10.1002/jcc.540040211	https://doi.org/10.1002/jcc.540040211	PROPN
ecletica-165	185	2	.	.	PUNCT
ecletica-165	186	1	[	[	X
ecletica-165	186	2	21	21	NUM
ecletica-165	186	3	]	]	X
ecletica-165	186	4	zoete	zoete	NOUN
ecletica-165	186	5	,	,	PUNCT
ecletica-165	186	6	v.	v.	PROPN
ecletica-165	186	7	,	,	PUNCT
ecletica-165	186	8	cuendet	cuendet	NOUN
ecletica-165	186	9	,	,	PUNCT
ecletica-165	186	10	m.	m.	NOUN
ecletica-165	186	11	a.	a.	NOUN
ecletica-165	186	12	,	,	PUNCT
ecletica-165	186	13	grosdidier	grosdidier	NOUN
ecletica-165	186	14	,	,	PUNCT
ecletica-165	186	15	a.	a.	NOUN
ecletica-165	186	16	,	,	PUNCT
ecletica-165	186	17	michielin	michielin	PROPN
ecletica-165	186	18	,	,	PUNCT
ecletica-165	186	19	o.	o.	PROPN
ecletica-165	186	20	,	,	PUNCT
ecletica-165	186	21	swissparam	swissparam	PROPN
ecletica-165	186	22	:	:	PUNCT
ecletica-165	186	23	a	a	DET
ecletica-165	186	24	fast	fast	ADJ
ecletica-165	186	25	force	force	NOUN
ecletica-165	186	26	field	field	NOUN
ecletica-165	186	27	generation	generation	NOUN
ecletica-165	186	28	tool	tool	NOUN
ecletica-165	186	29	for	for	ADP
ecletica-165	186	30	small	small	ADJ
ecletica-165	186	31	organic	organic	ADJ
ecletica-165	186	32	molecules	molecule	NOUN
ecletica-165	186	33	,	,	PUNCT
ecletica-165	186	34	j.	j.	PROPN
ecletica-165	186	35	comput	comput	PROPN
ecletica-165	186	36	.	.	PUNCT
ecletica-165	187	1	chem	chem	NOUN
ecletica-165	187	2	.	.	PUNCT
ecletica-165	188	1	32	32	NUM
ecletica-165	188	2	(	(	PUNCT
ecletica-165	188	3	11	11	NUM
ecletica-165	188	4	)	)	PUNCT
ecletica-165	188	5	(	(	PUNCT
ecletica-165	188	6	2011	2011	NUM
ecletica-165	188	7	)	)	PUNCT
ecletica-165	188	8	2359	2359	NUM
ecletica-165	188	9	-	-	SYM
ecletica-165	188	10	68	68	NUM
ecletica-165	188	11	.	.	PUNCT
ecletica-165	189	1	pmid	pmid	NOUN
ecletica-165	189	2	:	:	PUNCT
ecletica-165	189	3	21541964	21541964	NUM
ecletica-165	189	4	.	.	PUNCT
ecletica-165	190	1	https://doi.org/10.1002/jcc.21816	https://doi.org/10.1002/jcc.21816	PROPN
ecletica-165	190	2	.	.	PUNCT
ecletica-165	191	1	[	[	X
ecletica-165	191	2	22	22	NUM
ecletica-165	191	3	]	]	PUNCT
ecletica-165	191	4	dapprich	dapprich	NOUN
ecletica-165	191	5	,	,	PUNCT
ecletica-165	191	6	s.	s.	PROPN
ecletica-165	191	7	,	,	PUNCT
ecletica-165	191	8	komáromi	komáromi	PROPN
ecletica-165	191	9	,	,	PUNCT
ecletica-165	191	10	i.	i.	PROPN
ecletica-165	191	11	,	,	PUNCT
ecletica-165	191	12	byun	byun	PROPN
ecletica-165	191	13	,	,	PUNCT
ecletica-165	191	14	k.	k.	PROPN
ecletica-165	191	15	s.	s.	PROPN
ecletica-165	191	16	,	,	PUNCT
ecletica-165	191	17	morokuma	morokuma	PROPN
ecletica-165	191	18	,	,	PUNCT
ecletica-165	191	19	k.	k.	PROPN
ecletica-165	191	20	,	,	PUNCT
ecletica-165	191	21	frisch	frisch	PROPN
ecletica-165	191	22	,	,	PUNCT
ecletica-165	191	23	m.	m.	NOUN
ecletica-165	191	24	j.	j.	PROPN
ecletica-165	191	25	,	,	PUNCT
ecletica-165	191	26	a	a	DET
ecletica-165	191	27	new	new	ADJ
ecletica-165	191	28	oniom	oniom	NOUN
ecletica-165	191	29	implementation	implementation	NOUN
ecletica-165	191	30	in	in	ADP
ecletica-165	191	31	gaussian	gaussian	ADJ
ecletica-165	191	32	98	98	NUM
ecletica-165	191	33	.	.	PUNCT
ecletica-165	192	1	part	part	NOUN
ecletica-165	192	2	1	1	NUM
ecletica-165	192	3	.	.	PUNCT
ecletica-165	193	1	the	the	DET
ecletica-165	193	2	calculation	calculation	NOUN
ecletica-165	193	3	of	of	ADP
ecletica-165	193	4	energies	energy	NOUN
ecletica-165	193	5	,	,	PUNCT
ecletica-165	193	6	gradients	gradient	NOUN
ecletica-165	193	7	and	and	CCONJ
ecletica-165	193	8	vibrational	vibrational	ADJ
ecletica-165	193	9	frequencies	frequency	NOUN
ecletica-165	193	10	and	and	CCONJ
ecletica-165	193	11	electric	electric	ADJ
ecletica-165	193	12	field	field	NOUN
ecletica-165	193	13	derivatives	derivative	NOUN
ecletica-165	193	14	,	,	PUNCT
ecletica-165	193	15	j.	j.	PROPN
ecletica-165	193	16	mol	mol	PROPN
ecletica-165	193	17	.	.	PROPN
ecletica-165	193	18	struct	struct	NOUN
ecletica-165	193	19	.	.	PUNCT
ecletica-165	194	1	(	(	PUNCT
ecletica-165	194	2	theochem	theochem	NOUN
ecletica-165	194	3	)	)	PUNCT
ecletica-165	194	4	462	462	NUM
ecletica-165	194	5	(	(	PUNCT
ecletica-165	194	6	1999	1999	NUM
ecletica-165	194	7	)	)	PUNCT
ecletica-165	194	8	1	1	NUM
ecletica-165	194	9	-	-	SYM
ecletica-165	194	10	21	21	NUM
ecletica-165	194	11	.	.	PUNCT
ecletica-165	195	1	https://doi.org/10.1016/s0166-1280(98)00475-8	https://doi.org/10.1016/s0166-1280(98)00475-8	PROPN
ecletica-165	195	2	.	.	PUNCT
ecletica-165	196	1	[	[	X
ecletica-165	196	2	23	23	NUM
ecletica-165	196	3	]	]	PUNCT
ecletica-165	196	4	vreven	vreven	ADJ
ecletica-165	196	5	t.	t.	PROPN
ecletica-165	196	6	,	,	PUNCT
ecletica-165	196	7	morokuma	morokuma	PROPN
ecletica-165	196	8	,	,	PUNCT
ecletica-165	196	9	k.	k.	PROPN
ecletica-165	196	10	,	,	PUNCT
ecletica-165	196	11	hybrid	hybrid	ADJ
ecletica-165	196	12	methods	method	NOUN
ecletica-165	196	13	:	:	PUNCT
ecletica-165	196	14	oniom(qm	oniom(qm	NOUN
ecletica-165	196	15	:	:	PUNCT
ecletica-165	196	16	mm	mm	NUM
ecletica-165	196	17	)	)	PUNCT
ecletica-165	196	18	and	and	CCONJ
ecletica-165	196	19	qm	qm	PROPN
ecletica-165	196	20	/	/	SYM
ecletica-165	196	21	mm	mm	PROPN
ecletica-165	196	22	,	,	PUNCT
ecletica-165	196	23	annual	annual	ADJ
ecletica-165	196	24	reports	report	NOUN
ecletica-165	196	25	in	in	ADP
ecletica-165	196	26	comp	comp	NOUN
ecletica-165	196	27	.	.	PUNCT
ecletica-165	196	28	chem	chem	NOUN
ecletica-165	196	29	.	.	PUNCT
ecletica-165	197	1	2	2	NUM
ecletica-165	197	2	(	(	PUNCT
ecletica-165	197	3	2006	2006	NUM
ecletica-165	197	4	)	)	PUNCT
ecletica-165	197	5	35	35	NUM
ecletica-165	197	6	-	-	SYM
ecletica-165	197	7	51	51	NUM
ecletica-165	197	8	.	.	PUNCT
ecletica-165	197	9	https://doi.org/10.1016/s1574-1400(06)02003-2	https://doi.org/10.1016/s1574-1400(06)02003-2	PROPN
ecletica-165	197	10	.	.	PUNCT
ecletica-165	198	1	[	[	X
ecletica-165	198	2	24	24	NUM
ecletica-165	198	3	]	]	PUNCT
ecletica-165	198	4	vreven	vreven	ADJ
ecletica-165	198	5	,	,	PUNCT
ecletica-165	198	6	t.	t.	PROPN
ecletica-165	198	7	,	,	PUNCT
ecletica-165	198	8	byun	byun	NOUN
ecletica-165	198	9	,	,	PUNCT
ecletica-165	198	10	k.	k.	PROPN
ecletica-165	198	11	s.	s.	PROPN
ecletica-165	198	12	,	,	PUNCT
ecletica-165	198	13	komaromi	komaromi	NOUN
ecletica-165	198	14	,	,	PUNCT
ecletica-165	198	15	i.	i.	NOUN
ecletica-165	198	16	,	,	PUNCT
ecletica-165	198	17	dapprich	dapprich	PROPN
ecletica-165	198	18	,	,	PUNCT
ecletica-165	198	19	s.	s.	PROPN
ecletica-165	198	20	,	,	PUNCT
ecletica-165	198	21	montgomery	montgomery	PROPN
ecletica-165	198	22	jr	jr	PROPN
ecletica-165	198	23	.	.	PROPN
ecletica-165	198	24	,	,	PUNCT
ecletica-165	198	25	j.a	j.a	PROPN
ecletica-165	198	26	.	.	PROPN
ecletica-165	198	27	,	,	PUNCT
ecletica-165	198	28	morokuma	morokuma	PROPN
ecletica-165	198	29	,	,	PUNCT
ecletica-165	198	30	k.	k.	PROPN
ecletica-165	198	31	,	,	PUNCT
ecletica-165	198	32	frisch	frisch	PROPN
ecletica-165	198	33	,	,	PUNCT
ecletica-165	198	34	m.	m.	NOUN
ecletica-165	198	35	j.	j.	PROPN
ecletica-165	198	36	,	,	PUNCT
ecletica-165	198	37	combining	combine	VERB
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ecletica-165	198	39	mechanics	mechanic	NOUN
ecletica-165	198	40	methods	method	NOUN
ecletica-165	198	41	with	with	ADP
ecletica-165	198	42	molecular	molecular	ADJ
ecletica-165	198	43	mechanics	mechanic	NOUN
ecletica-165	198	44	methods	method	NOUN
ecletica-165	198	45	in	in	ADP
ecletica-165	198	46	oniom	oniom	NOUN
ecletica-165	198	47	,	,	PUNCT
ecletica-165	198	48	j.	j.	PROPN
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ecletica-165	198	51	.	.	PUNCT
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ecletica-165	199	6	https://doi.org/10.1007/s11010-013-1822-4	https://doi.org/10.1007/s11010-013-1822-4	NUM
ecletica-165	199	7	https://doi.org/10.1007/s11010-013-1822-4	https://doi.org/10.1007/s11010-013-1822-4	NUM
ecletica-165	199	8	https://doi.org/10.1007/s11010-013-1822-4	https://doi.org/10.1007/s11010-013-1822-4	NUM
ecletica-165	199	9	https://doi.org/10.1371/journal.pone.0030240	https://doi.org/10.1371/journal.pone.0030240	NOUN
ecletica-165	199	10	https://doi.org/10.1371/journal.pone.0030240	https://doi.org/10.1371/journal.pone.0030240	NOUN
ecletica-165	199	11	https://doi.org/10.1371/journal.pone.0030240	https://doi.org/10.1371/journal.pone.0030240	NOUN
ecletica-165	199	12	https://doi.org/10.1371/journal.pone.0030240	https://doi.org/10.1371/journal.pone.0030240	NOUN
ecletica-165	199	13	https://doi.org/10.1371/journal.pone.0030240	https://doi.org/10.1371/journal.pone.0030240	NOUN
ecletica-165	199	14	https://doi.org/10.1371/journal.pone.0030240	https://doi.org/10.1371/journal.pone.0030240	NOUN
ecletica-165	199	15	https://doi.org/10.1371/journal.pone.0030240	https://doi.org/10.1371/journal.pone.0030240	NOUN
ecletica-165	199	16	https://doi.org/10.1371/journal.pone.0030240	https://doi.org/10.1371/journal.pone.0030240	NOUN
ecletica-165	199	17	https://doi.org/10.1371/journal.pone.0030240	https://doi.org/10.1371/journal.pone.0030240	NOUN
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ecletica-165	217	38	)	)	PUNCT
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ecletica-165	220	10	104	104	NUM
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ecletica-165	220	13	)	)	PUNCT
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ecletica-165	221	2	.	.	PUNCT
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