id	sid	tid	token	lemma	pos
eurjchem-1955	1	1	virtual	virtual	ADJ
eurjchem-1955	1	2	molecular	molecular	ADJ
eurjchem-1955	1	3	docking	docking	NOUN
eurjchem-1955	1	4	study	study	NOUN
eurjchem-1955	1	5	of	of	ADP
eurjchem-1955	1	6	some	some	DET
eurjchem-1955	1	7	novel	novel	ADJ
eurjchem-1955	1	8	carboxamide	carboxamide	NOUN
eurjchem-1955	1	9	series	series	NOUN
eurjchem-1955	1	10	as	as	ADP
eurjchem-1955	1	11	new	new	ADJ
eurjchem-1955	1	12	anti	anti	ADJ
eurjchem-1955	1	13	-	-	ADJ
eurjchem-1955	1	14	tubercular	tubercular	ADJ
eurjchem-1955	1	15	agents	agent	NOUN
eurjchem-1955	1	16	european	european	PROPN
eurjchem-1955	1	17	journal	journal	PROPN
eurjchem-1955	1	18	of	of	ADP
eurjchem-1955	1	19	chemistry	chemistry	NOUN
eurjchem-1955	1	20	11	11	NUM
eurjchem-1955	1	21	(	(	PUNCT
eurjchem-1955	1	22	1	1	NUM
eurjchem-1955	1	23	)	)	PUNCT
eurjchem-1955	1	24	(	(	PUNCT
eurjchem-1955	1	25	2020	2020	NUM
eurjchem-1955	1	26	)	)	PUNCT
eurjchem-1955	1	27	30	30	NUM
eurjchem-1955	1	28	-	-	SYM
eurjchem-1955	1	29	36	36	NUM
eurjchem-1955	1	30	european	european	ADJ
eurjchem-1955	1	31	journal	journal	PROPN
eurjchem-1955	1	32	of	of	ADP
eurjchem-1955	1	33	chemistry	chemistry	NOUN
eurjchem-1955	1	34	view	view	NOUN
eurjchem-1955	1	35	journal	journal	PROPN
eurjchem-1955	1	36	online	online	PROPN
eurjchem-1955	1	37	view	view	NOUN
eurjchem-1955	1	38	article	article	NOUN
eurjchem-1955	1	39	online	online	PROPN
eurjchem-1955	1	40	virtual	virtual	ADJ
eurjchem-1955	1	41	molecular	molecular	ADJ
eurjchem-1955	1	42	docking	docking	NOUN
eurjchem-1955	1	43	study	study	NOUN
eurjchem-1955	1	44	of	of	ADP
eurjchem-1955	1	45	some	some	DET
eurjchem-1955	1	46	novel	novel	ADJ
eurjchem-1955	1	47	carboxamide	carboxamide	NOUN
eurjchem-1955	1	48	series	series	NOUN
eurjchem-1955	1	49	as	as	ADP
eurjchem-1955	1	50	new	new	ADJ
eurjchem-1955	1	51	anti	anti	ADJ
eurjchem-1955	1	52	-	-	ADJ
eurjchem-1955	1	53	tubercular	tubercular	ADJ
eurjchem-1955	1	54	agents	agent	NOUN
eurjchem-1955	1	55	mustapha	mustapha	PROPN
eurjchem-1955	1	56	abdullahi	abdullahi	PROPN
eurjchem-1955	1	57	1	1	NUM
eurjchem-1955	1	58	,	,	PUNCT
eurjchem-1955	1	59	*	*	PUNCT
eurjchem-1955	1	60	,	,	PUNCT
eurjchem-1955	1	61	adamu	adamu	PROPN
eurjchem-1955	1	62	uzairu	uzairu	PROPN
eurjchem-1955	1	63	1	1	NUM
eurjchem-1955	1	64	,	,	PUNCT
eurjchem-1955	1	65	gideon	gideon	PROPN
eurjchem-1955	1	66	adamu	adamu	PROPN
eurjchem-1955	1	67	shallangwa	shallangwa	PROPN
eurjchem-1955	1	68	1	1	NUM
eurjchem-1955	1	69	,	,	PUNCT
eurjchem-1955	1	70	david	david	PROPN
eurjchem-1955	1	71	ebuka	ebuka	PROPN
eurjchem-1955	1	72	arthur	arthur	PROPN
eurjchem-1955	1	73	2	2	PROPN
eurjchem-1955	1	74	,	,	PUNCT
eurjchem-1955	1	75	bello	bello	PROPN
eurjchem-1955	1	76	abdullahi	abdullahi	PROPN
eurjchem-1955	1	77	umar	umar	PROPN
eurjchem-1955	1	78	1	1	NUM
eurjchem-1955	1	79	and	and	CCONJ
eurjchem-1955	1	80	muhammad	muhammad	PROPN
eurjchem-1955	1	81	tukur	tukur	PROPN
eurjchem-1955	1	82	ibrahim	ibrahim	PROPN
eurjchem-1955	1	83	1	1	NUM
eurjchem-1955	1	84	1	1	NUM
eurjchem-1955	1	85	department	department	NOUN
eurjchem-1955	1	86	of	of	ADP
eurjchem-1955	1	87	chemistry	chemistry	NOUN
eurjchem-1955	1	88	,	,	PUNCT
eurjchem-1955	1	89	faculty	faculty	NOUN
eurjchem-1955	1	90	of	of	ADP
eurjchem-1955	1	91	physical	physical	ADJ
eurjchem-1955	1	92	sciences	science	NOUN
eurjchem-1955	1	93	,	,	PUNCT
eurjchem-1955	1	94	ahmadu	ahmadu	PROPN
eurjchem-1955	1	95	bello	bello	PROPN
eurjchem-1955	1	96	university	university	NOUN
eurjchem-1955	1	97	,	,	PUNCT
eurjchem-1955	1	98	810107	810107	NUM
eurjchem-1955	1	99	,	,	PUNCT
eurjchem-1955	1	100	zaria	zaria	PROPN
eurjchem-1955	1	101	,	,	PUNCT
eurjchem-1955	1	102	nigeria	nigeria	PROPN
eurjchem-1955	2	1	mustychem19@gmail.com	mustychem19@gmail.com	PROPN
eurjchem-1955	2	2	(	(	PUNCT
eurjchem-1955	2	3	m.a	m.a	PROPN
eurjchem-1955	2	4	.	.	PROPN
eurjchem-1955	2	5	)	)	PUNCT
eurjchem-1955	2	6	,	,	PUNCT
eurjchem-1955	2	7	adamuuzairu@yahoo.com	adamuuzairu@yahoo.com	X
eurjchem-1955	2	8	(	(	PUNCT
eurjchem-1955	2	9	a.u	a.u	PROPN
eurjchem-1955	2	10	.	.	PROPN
eurjchem-1955	2	11	)	)	PUNCT
eurjchem-1955	2	12	,	,	PUNCT
eurjchem-1955	2	13	gashallangwa@gmail.com	gashallangwa@gmail.com	X
eurjchem-1955	3	1	(	(	PUNCT
eurjchem-1955	3	2	g.a.s	g.a.s	PROPN
eurjchem-1955	3	3	.	.	PUNCT
eurjchem-1955	3	4	)	)	PUNCT
eurjchem-1955	3	5	,	,	PUNCT
eurjchem-1955	4	1	abdallahbum@yahoo.com	abdallahbum@yahoo.com	X
eurjchem-1955	4	2	(	(	PUNCT
eurjchem-1955	4	3	b.a.u	b.a.u	NOUN
eurjchem-1955	4	4	.	.	PUNCT
eurjchem-1955	4	5	)	)	PUNCT
eurjchem-1955	4	6	,	,	PUNCT
eurjchem-1955	4	7	muhdtk1988@gmail.com	muhdtk1988@gmail.com	X
eurjchem-1955	5	1	(	(	PUNCT
eurjchem-1955	5	2	m.t.i	m.t.i	NOUN
eurjchem-1955	5	3	.	.	PUNCT
eurjchem-1955	5	4	)	)	PUNCT
eurjchem-1955	6	1	2	2	NUM
eurjchem-1955	6	2	department	department	NOUN
eurjchem-1955	6	3	of	of	ADP
eurjchem-1955	6	4	chemistry	chemistry	NOUN
eurjchem-1955	6	5	,	,	PUNCT
eurjchem-1955	6	6	baze	baze	NOUN
eurjchem-1955	6	7	university	university	NOUN
eurjchem-1955	6	8	,	,	PUNCT
eurjchem-1955	6	9	900108	900108	NUM
eurjchem-1955	6	10	,	,	PUNCT
eurjchem-1955	6	11	abuja	abuja	PROPN
eurjchem-1955	6	12	,	,	PUNCT
eurjchem-1955	6	13	nigeria	nigeria	PROPN
eurjchem-1955	6	14	davidebukaarthur@gmail.com	davidebukaarthur@gmail.com	PROPN
eurjchem-1955	6	15	(	(	PUNCT
eurjchem-1955	6	16	d.e.a	d.e.a	PROPN
eurjchem-1955	6	17	.	.	PUNCT
eurjchem-1955	6	18	)	)	PUNCT
eurjchem-1955	7	1	*	*	PUNCT
eurjchem-1955	7	2	corresponding	correspond	VERB
eurjchem-1955	7	3	author	author	NOUN
eurjchem-1955	7	4	at	at	ADP
eurjchem-1955	7	5	:	:	PUNCT
eurjchem-1955	7	6	department	department	NOUN
eurjchem-1955	7	7	of	of	ADP
eurjchem-1955	7	8	chemistry	chemistry	NOUN
eurjchem-1955	7	9	,	,	PUNCT
eurjchem-1955	7	10	faculty	faculty	NOUN
eurjchem-1955	7	11	of	of	ADP
eurjchem-1955	7	12	physical	physical	ADJ
eurjchem-1955	7	13	sciences	science	NOUN
eurjchem-1955	7	14	,	,	PUNCT
eurjchem-1955	7	15	ahmadu	ahmadu	PROPN
eurjchem-1955	7	16	bello	bello	PROPN
eurjchem-1955	7	17	university	university	NOUN
eurjchem-1955	7	18	,	,	PUNCT
eurjchem-1955	7	19	810107	810107	NUM
eurjchem-1955	7	20	,	,	PUNCT
eurjchem-1955	7	21	zaria	zaria	PROPN
eurjchem-1955	7	22	,	,	PUNCT
eurjchem-1955	7	23	nigeria	nigeria	PROPN
eurjchem-1955	7	24	.	.	PUNCT
eurjchem-1955	8	1	e	e	X
eurjchem-1955	8	2	-	-	NOUN
eurjchem-1955	8	3	mail	mail	NOUN
eurjchem-1955	8	4	:	:	PUNCT
eurjchem-1955	9	1	mustychem19@gmail.com	mustychem19@gmail.com	X
eurjchem-1955	9	2	(	(	PUNCT
eurjchem-1955	9	3	m.	m.	PROPN
eurjchem-1955	9	4	abdullahi	abdullahi	PROPN
eurjchem-1955	9	5	)	)	PUNCT
eurjchem-1955	9	6	.	.	PUNCT
eurjchem-1955	10	1	10.5155	10.5155	NUM
eurjchem-1955	10	2	/	/	SYM
eurjchem-1955	10	3	eurjchem.11.1.30	eurjchem.11.1.30	NOUN
eurjchem-1955	10	4	-	-	PUNCT
eurjchem-1955	10	5	36.1955	36.1955	NUM
eurjchem-1955	10	6	received	receive	VERB
eurjchem-1955	10	7	:	:	PUNCT
eurjchem-1955	10	8	27	27	NUM
eurjchem-1955	10	9	december	december	PROPN
eurjchem-1955	10	10	2020	2020	NUM
eurjchem-1955	10	11	received	receive	VERB
eurjchem-1955	10	12	in	in	ADP
eurjchem-1955	10	13	revised	revise	VERB
eurjchem-1955	10	14	form	form	NOUN
eurjchem-1955	10	15	:	:	PUNCT
eurjchem-1955	10	16	25	25	NUM
eurjchem-1955	10	17	january	january	PROPN
eurjchem-1955	10	18	2020	2020	NUM
eurjchem-1955	10	19	accepted	accept	VERB
eurjchem-1955	10	20	:	:	PUNCT
eurjchem-1955	10	21	27	27	NUM
eurjchem-1955	10	22	january	january	NOUN
eurjchem-1955	10	23	2020	2020	NUM
eurjchem-1955	10	24	published	publish	VERB
eurjchem-1955	10	25	online	online	ADV
eurjchem-1955	10	26	:	:	PUNCT
eurjchem-1955	10	27	31	31	NUM
eurjchem-1955	10	28	march	march	NOUN
eurjchem-1955	10	29	2020	2020	NUM
eurjchem-1955	10	30	printed	print	VERB
eurjchem-1955	10	31	:	:	PUNCT
eurjchem-1955	10	32	31	31	NUM
eurjchem-1955	10	33	march	march	NOUN
eurjchem-1955	10	34	2020	2020	NUM
eurjchem-1955	10	35	a	a	DET
eurjchem-1955	10	36	virtual	virtual	ADJ
eurjchem-1955	10	37	docking	docking	NOUN
eurjchem-1955	10	38	simulation	simulation	NOUN
eurjchem-1955	10	39	study	study	NOUN
eurjchem-1955	10	40	was	be	AUX
eurjchem-1955	10	41	performed	perform	VERB
eurjchem-1955	10	42	on	on	ADP
eurjchem-1955	10	43	thirty	thirty	NUM
eurjchem-1955	10	44	-	-	PUNCT
eurjchem-1955	10	45	five	five	NUM
eurjchem-1955	10	46	newly	newly	ADV
eurjchem-1955	10	47	discovered	discover	VERB
eurjchem-1955	10	48	compounds	compound	NOUN
eurjchem-1955	10	49	of	of	ADP
eurjchem-1955	10	50	n-(2	n-(2	NOUN
eurjchem-1955	10	51	-	-	PUNCT
eurjchem-1955	10	52	phenoxy	phenoxy	NOUN
eurjchem-1955	10	53	)	)	PUNCT
eurjchem-1955	10	54	ethyl	ethyl	PROPN
eurjchem-1955	11	1	imidazo[1,2	imidazo[1,2	PROPN
eurjchem-1955	11	2	-	-	PUNCT
eurjchem-1955	11	3	a	a	X
eurjchem-1955	11	4	]	]	X
eurjchem-1955	11	5	pyridine-3	pyridine-3	NUM
eurjchem-1955	11	6	-	-	NOUN
eurjchem-1955	11	7	carboxamide	carboxamide	NOUN
eurjchem-1955	11	8	(	(	PUNCT
eurjchem-1955	11	9	ipa	ipa	PROPN
eurjchem-1955	11	10	)	)	PUNCT
eurjchem-1955	11	11	,	,	PUNCT
eurjchem-1955	11	12	to	to	PART
eurjchem-1955	11	13	explore	explore	VERB
eurjchem-1955	11	14	their	their	PRON
eurjchem-1955	11	15	theoretical	theoretical	ADJ
eurjchem-1955	11	16	binding	bind	VERB
eurjchem-1955	11	17	energy	energy	NOUN
eurjchem-1955	11	18	and	and	CCONJ
eurjchem-1955	11	19	pose	pose	VERB
eurjchem-1955	11	20	with	with	ADP
eurjchem-1955	11	21	the	the	DET
eurjchem-1955	11	22	active	active	ADJ
eurjchem-1955	11	23	sites	site	NOUN
eurjchem-1955	11	24	of	of	ADP
eurjchem-1955	11	25	the	the	DET
eurjchem-1955	11	26	mycobacterium	mycobacterium	NOUN
eurjchem-1955	11	27	tuberculosis	tuberculosis	NOUN
eurjchem-1955	11	28	target	target	NOUN
eurjchem-1955	11	29	(	(	PUNCT
eurjchem-1955	11	30	dna	dna	NOUN
eurjchem-1955	11	31	gyrase	gyrase	NOUN
eurjchem-1955	11	32	)	)	PUNCT
eurjchem-1955	11	33	.	.	PUNCT
eurjchem-1955	12	1	the	the	DET
eurjchem-1955	12	2	chemical	chemical	NOUN
eurjchem-1955	12	3	structures	structure	NOUN
eurjchem-1955	12	4	of	of	ADP
eurjchem-1955	12	5	the	the	DET
eurjchem-1955	12	6	compounds	compound	NOUN
eurjchem-1955	12	7	were	be	AUX
eurjchem-1955	12	8	drawn	draw	VERB
eurjchem-1955	12	9	correctly	correctly	ADV
eurjchem-1955	12	10	with	with	ADP
eurjchem-1955	12	11	chemdraw	chemdraw	ADJ
eurjchem-1955	12	12	ultra	ultra	ADJ
eurjchem-1955	12	13	software	software	NOUN
eurjchem-1955	12	14	,	,	PUNCT
eurjchem-1955	12	15	and	and	CCONJ
eurjchem-1955	12	16	then	then	ADV
eurjchem-1955	12	17	geometrically	geometrically	ADV
eurjchem-1955	12	18	optimized	optimize	VERB
eurjchem-1955	12	19	at	at	ADP
eurjchem-1955	12	20	dft	dft	PROPN
eurjchem-1955	12	21	level	level	NOUN
eurjchem-1955	12	22	of	of	ADP
eurjchem-1955	12	23	theory	theory	NOUN
eurjchem-1955	12	24	with	with	ADP
eurjchem-1955	12	25	spartan	spartan	ADJ
eurjchem-1955	12	26	14	14	NUM
eurjchem-1955	12	27	software	software	NOUN
eurjchem-1955	12	28	package	package	NOUN
eurjchem-1955	12	29	.	.	PUNCT
eurjchem-1955	13	1	consequently	consequently	ADV
eurjchem-1955	13	2	,	,	PUNCT
eurjchem-1955	13	3	the	the	DET
eurjchem-1955	13	4	docking	docking	NOUN
eurjchem-1955	13	5	analysis	analysis	NOUN
eurjchem-1955	13	6	was	be	AUX
eurjchem-1955	13	7	carried	carry	VERB
eurjchem-1955	13	8	out	out	ADP
eurjchem-1955	13	9	using	use	VERB
eurjchem-1955	13	10	molegro	molegro	ADJ
eurjchem-1955	13	11	virtual	virtual	ADJ
eurjchem-1955	13	12	docker	docker	PROPN
eurjchem-1955	13	13	(	(	PUNCT
eurjchem-1955	13	14	mvd	mvd	PROPN
eurjchem-1955	13	15	)	)	PUNCT
eurjchem-1955	13	16	.	.	PUNCT
eurjchem-1955	14	1	five	five	NUM
eurjchem-1955	14	2	complexes	complex	NOUN
eurjchem-1955	14	3	(	(	PUNCT
eurjchem-1955	14	4	complex	complex	ADJ
eurjchem-1955	14	5	5	5	NUM
eurjchem-1955	14	6	,	,	PUNCT
eurjchem-1955	14	7	24	24	NUM
eurjchem-1955	14	8	,	,	PUNCT
eurjchem-1955	14	9	25	25	NUM
eurjchem-1955	14	10	,	,	PUNCT
eurjchem-1955	14	11	33	33	NUM
eurjchem-1955	14	12	and	and	CCONJ
eurjchem-1955	14	13	35	35	NUM
eurjchem-1955	14	14	)	)	PUNCT
eurjchem-1955	14	15	with	with	ADP
eurjchem-1955	14	16	high	high	ADJ
eurjchem-1955	14	17	binding	bind	VERB
eurjchem-1955	14	18	energy	energy	NOUN
eurjchem-1955	14	19	were	be	AUX
eurjchem-1955	14	20	selected	select	VERB
eurjchem-1955	14	21	to	to	PART
eurjchem-1955	14	22	examine	examine	VERB
eurjchem-1955	14	23	their	their	PRON
eurjchem-1955	14	24	binding	bind	VERB
eurjchem-1955	14	25	pose	pose	NOUN
eurjchem-1955	14	26	with	with	ADP
eurjchem-1955	14	27	the	the	DET
eurjchem-1955	14	28	active	active	ADJ
eurjchem-1955	14	29	sites	site	NOUN
eurjchem-1955	14	30	of	of	ADP
eurjchem-1955	14	31	the	the	DET
eurjchem-1955	14	32	protein	protein	NOUN
eurjchem-1955	14	33	.	.	PUNCT
eurjchem-1955	15	1	the	the	DET
eurjchem-1955	15	2	docking	docking	NOUN
eurjchem-1955	15	3	results	result	NOUN
eurjchem-1955	15	4	suggested	suggest	VERB
eurjchem-1955	15	5	a	a	DET
eurjchem-1955	15	6	good	good	ADJ
eurjchem-1955	15	7	moldock	moldock	NOUN
eurjchem-1955	15	8	score	score	NOUN
eurjchem-1955	15	9	(	(	PUNCT
eurjchem-1955	15	10	≥	≥	NOUN
eurjchem-1955	15	11	-90	-90	PUNCT
eurjchem-1955	15	12	kcal	kcal	PROPN
eurjchem-1955	15	13	/	/	SYM
eurjchem-1955	15	14	mol	mol	NOUN
eurjchem-1955	15	15	)	)	PUNCT
eurjchem-1955	15	16	and	and	CCONJ
eurjchem-1955	15	17	protein	protein	NOUN
eurjchem-1955	15	18	-	-	PUNCT
eurjchem-1955	15	19	ligand	ligand	ADJ
eurjchem-1955	15	20	ant	ant	ADJ
eurjchem-1955	15	21	system	system	NOUN
eurjchem-1955	15	22	(	(	PUNCT
eurjchem-1955	15	23	plants	plant	NOUN
eurjchem-1955	15	24	)	)	PUNCT
eurjchem-1955	15	25	score	score	NOUN
eurjchem-1955	15	26	(	(	PUNCT
eurjchem-1955	15	27	≥	≥	NOUN
eurjchem-1955	15	28	-60	-60	SYM
eurjchem-1955	15	29	kcal	kcal	PROPN
eurjchem-1955	15	30	/	/	SYM
eurjchem-1955	15	31	mol	mol	NOUN
eurjchem-1955	15	32	)	)	PUNCT
eurjchem-1955	15	33	which	which	PRON
eurjchem-1955	15	34	depicted	depict	VERB
eurjchem-1955	15	35	that	that	SCONJ
eurjchem-1955	15	36	the	the	DET
eurjchem-1955	15	37	compounds	compound	NOUN
eurjchem-1955	15	38	can	can	AUX
eurjchem-1955	15	39	efficiently	efficiently	ADV
eurjchem-1955	15	40	bind	bind	VERB
eurjchem-1955	15	41	with	with	ADP
eurjchem-1955	15	42	the	the	DET
eurjchem-1955	15	43	active	active	ADJ
eurjchem-1955	15	44	sites	site	NOUN
eurjchem-1955	15	45	of	of	ADP
eurjchem-1955	15	46	the	the	DET
eurjchem-1955	15	47	target	target	NOUN
eurjchem-1955	15	48	.	.	PUNCT
eurjchem-1955	16	1	however	however	ADV
eurjchem-1955	16	2	,	,	PUNCT
eurjchem-1955	16	3	compound	compound	NOUN
eurjchem-1955	16	4	5	5	NUM
eurjchem-1955	16	5	has	have	VERB
eurjchem-1955	16	6	the	the	DET
eurjchem-1955	16	7	best	good	ADJ
eurjchem-1955	16	8	binding	binding	NOUN
eurjchem-1955	16	9	pose	pose	NOUN
eurjchem-1955	16	10	with	with	ADP
eurjchem-1955	16	11	the	the	DET
eurjchem-1955	16	12	moldock	moldock	ADJ
eurjchem-1955	16	13	score	score	NOUN
eurjchem-1955	16	14	of	of	ADP
eurjchem-1955	16	15	-140.476	-140.476	NOUN
eurjchem-1955	16	16	kcal	kcal	NOUN
eurjchem-1955	16	17	/	/	SYM
eurjchem-1955	16	18	mol	mol	NOUN
eurjchem-1955	16	19	which	which	PRON
eurjchem-1955	16	20	formed	form	VERB
eurjchem-1955	16	21	three	three	NUM
eurjchem-1955	16	22	hydrogen	hydrogen	NOUN
eurjchem-1955	16	23	bond	bond	NOUN
eurjchem-1955	16	24	interactions	interaction	NOUN
eurjchem-1955	16	25	with	with	ADP
eurjchem-1955	16	26	the	the	DET
eurjchem-1955	16	27	gln	gln	NOUN
eurjchem-1955	16	28	538	538	NUM
eurjchem-1955	16	29	,	,	PUNCT
eurjchem-1955	16	30	ala	ala	PROPN
eurjchem-1955	16	31	531	531	NUM
eurjchem-1955	16	32	,	,	PUNCT
eurjchem-1955	16	33	and	and	CCONJ
eurjchem-1955	16	34	ala	ala	PROPN
eurjchem-1955	16	35	533	533	NUM
eurjchem-1955	16	36	amino	amino	NOUN
eurjchem-1955	16	37	acid	acid	NOUN
eurjchem-1955	16	38	residues	residue	NOUN
eurjchem-1955	16	39	.	.	PUNCT
eurjchem-1955	17	1	this	this	DET
eurjchem-1955	17	2	research	research	NOUN
eurjchem-1955	17	3	gives	give	VERB
eurjchem-1955	17	4	a	a	DET
eurjchem-1955	17	5	firsthand	firsthand	ADJ
eurjchem-1955	17	6	theoretical	theoretical	ADJ
eurjchem-1955	17	7	knowledge	knowledge	NOUN
eurjchem-1955	17	8	to	to	PART
eurjchem-1955	17	9	improve	improve	VERB
eurjchem-1955	17	10	the	the	DET
eurjchem-1955	17	11	binding	bind	VERB
eurjchem-1955	17	12	efficiency	efficiency	NOUN
eurjchem-1955	17	13	of	of	ADP
eurjchem-1955	17	14	these	these	DET
eurjchem-1955	17	15	compounds	compound	NOUN
eurjchem-1955	17	16	with	with	ADP
eurjchem-1955	17	17	the	the	DET
eurjchem-1955	17	18	target	target	NOUN
eurjchem-1955	17	19	.	.	PUNCT
eurjchem-1955	18	1	protein	protein	NOUN
eurjchem-1955	18	2	plants	plant	NOUN
eurjchem-1955	18	3	docking	dock	VERB
eurjchem-1955	18	4	moldock	moldock	NOUN
eurjchem-1955	18	5	binding	bind	VERB
eurjchem-1955	18	6	affinity	affinity	NOUN
eurjchem-1955	18	7	scoring	scoring	NOUN
eurjchem-1955	18	8	functions	function	NOUN
eurjchem-1955	18	9	cite	cite	VERB
eurjchem-1955	18	10	this	this	PRON
eurjchem-1955	18	11	:	:	PUNCT
eurjchem-1955	18	12	eur	eur	PROPN
eurjchem-1955	18	13	.	.	PUNCT
eurjchem-1955	19	1	j.	j.	PROPN
eurjchem-1955	19	2	chem	chem	PROPN
eurjchem-1955	19	3	.	.	PUNCT
eurjchem-1955	20	1	2020	2020	NUM
eurjchem-1955	20	2	,	,	PUNCT
eurjchem-1955	20	3	11(1	11(1	NUM
eurjchem-1955	20	4	)	)	PUNCT
eurjchem-1955	20	5	,	,	PUNCT
eurjchem-1955	20	6	30	30	NUM
eurjchem-1955	20	7	-	-	SYM
eurjchem-1955	20	8	36	36	NUM
eurjchem-1955	20	9	journal	journal	NOUN
eurjchem-1955	20	10	website	website	NOUN
eurjchem-1955	20	11	:	:	PUNCT
eurjchem-1955	20	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-1955	20	13	1	1	X
eurjchem-1955	20	14	.	.	PUNCT
eurjchem-1955	20	15	introduction	introduction	NOUN
eurjchem-1955	20	16	tuberculosis	tuberculosis	NOUN
eurjchem-1955	20	17	(	(	PUNCT
eurjchem-1955	20	18	tb	tb	NOUN
eurjchem-1955	20	19	)	)	PUNCT
eurjchem-1955	20	20	is	be	AUX
eurjchem-1955	20	21	one	one	NUM
eurjchem-1955	20	22	of	of	ADP
eurjchem-1955	20	23	the	the	DET
eurjchem-1955	20	24	world	world	NOUN
eurjchem-1955	20	25	’s	’s	PART
eurjchem-1955	20	26	most	most	ADV
eurjchem-1955	20	27	deadly	deadly	ADJ
eurjchem-1955	20	28	respiratory	respiratory	ADJ
eurjchem-1955	20	29	bacterial	bacterial	ADJ
eurjchem-1955	20	30	diseases	disease	NOUN
eurjchem-1955	20	31	caused	cause	VERB
eurjchem-1955	20	32	by	by	ADP
eurjchem-1955	20	33	mycobacterium	mycobacterium	NOUN
eurjchem-1955	20	34	tuberculosis	tuberculosis	NOUN
eurjchem-1955	20	35	(	(	PUNCT
eurjchem-1955	20	36	mtb	mtb	NOUN
eurjchem-1955	20	37	)	)	PUNCT
eurjchem-1955	20	38	.	.	PUNCT
eurjchem-1955	21	1	it	it	PRON
eurjchem-1955	21	2	was	be	AUX
eurjchem-1955	21	3	amongst	amongst	ADP
eurjchem-1955	21	4	the	the	DET
eurjchem-1955	21	5	top	top	ADJ
eurjchem-1955	21	6	ten	ten	NUM
eurjchem-1955	21	7	deadliest	deadly	ADJ
eurjchem-1955	21	8	diseases	disease	NOUN
eurjchem-1955	21	9	caused	cause	VERB
eurjchem-1955	21	10	by	by	ADP
eurjchem-1955	21	11	a	a	DET
eurjchem-1955	21	12	single	single	ADJ
eurjchem-1955	21	13	infectious	infectious	ADJ
eurjchem-1955	21	14	agent	agent	NOUN
eurjchem-1955	21	15	[	[	X
eurjchem-1955	21	16	1	1	NUM
eurjchem-1955	21	17	]	]	PUNCT
eurjchem-1955	21	18	.	.	PUNCT
eurjchem-1955	22	1	recently	recently	ADV
eurjchem-1955	22	2	,	,	PUNCT
eurjchem-1955	22	3	the	the	DET
eurjchem-1955	22	4	number	number	NOUN
eurjchem-1955	22	5	of	of	ADP
eurjchem-1955	22	6	patients	patient	NOUN
eurjchem-1955	22	7	getting	get	VERB
eurjchem-1955	22	8	life	life	NOUN
eurjchem-1955	22	9	-	-	PUNCT
eurjchem-1955	22	10	saving	save	VERB
eurjchem-1955	22	11	treatment	treatment	NOUN
eurjchem-1955	22	12	for	for	ADP
eurjchem-1955	22	13	tb	tb	NOUN
eurjchem-1955	22	14	in	in	ADP
eurjchem-1955	22	15	2018	2018	NUM
eurjchem-1955	22	16	has	have	AUX
eurjchem-1955	22	17	enormously	enormously	ADV
eurjchem-1955	22	18	augmented	augment	VERB
eurjchem-1955	22	19	due	due	ADP
eurjchem-1955	22	20	to	to	ADP
eurjchem-1955	22	21	increased	increase	VERB
eurjchem-1955	22	22	detection	detection	NOUN
eurjchem-1955	22	23	and	and	CCONJ
eurjchem-1955	22	24	diagnosis	diagnosis	NOUN
eurjchem-1955	22	25	[	[	X
eurjchem-1955	22	26	2	2	NUM
eurjchem-1955	22	27	]	]	PUNCT
eurjchem-1955	22	28	.	.	PUNCT
eurjchem-1955	23	1	nigeria	nigeria	PROPN
eurjchem-1955	23	2	is	be	AUX
eurjchem-1955	23	3	ranked	rank	VERB
eurjchem-1955	23	4	among	among	ADP
eurjchem-1955	23	5	the	the	DET
eurjchem-1955	23	6	top	top	ADJ
eurjchem-1955	23	7	seven	seven	NUM
eurjchem-1955	23	8	nations	nation	NOUN
eurjchem-1955	23	9	that	that	PRON
eurjchem-1955	23	10	account	account	VERB
eurjchem-1955	23	11	for	for	ADP
eurjchem-1955	23	12	64	64	NUM
eurjchem-1955	23	13	%	%	NOUN
eurjchem-1955	23	14	of	of	ADP
eurjchem-1955	23	15	the	the	DET
eurjchem-1955	23	16	total	total	ADJ
eurjchem-1955	23	17	danger	danger	NOUN
eurjchem-1955	23	18	of	of	ADP
eurjchem-1955	23	19	tuberculosis	tuberculosis	NOUN
eurjchem-1955	23	20	worldwide	worldwide	ADV
eurjchem-1955	24	1	[	[	X
eurjchem-1955	24	2	3	3	NUM
eurjchem-1955	24	3	]	]	PUNCT
eurjchem-1955	24	4	.	.	PUNCT
eurjchem-1955	25	1	it	it	PRON
eurjchem-1955	25	2	has	have	AUX
eurjchem-1955	25	3	been	be	AUX
eurjchem-1955	25	4	reported	report	VERB
eurjchem-1955	25	5	in	in	ADP
eurjchem-1955	25	6	the	the	DET
eurjchem-1955	25	7	global	global	ADJ
eurjchem-1955	25	8	tuberculosis	tuberculosis	NOUN
eurjchem-1955	25	9	report	report	NOUN
eurjchem-1955	25	10	of	of	ADP
eurjchem-1955	25	11	the	the	DET
eurjchem-1955	25	12	world	world	PROPN
eurjchem-1955	25	13	health	health	NOUN
eurjchem-1955	25	14	organization	organization	NOUN
eurjchem-1955	25	15	(	(	PUNCT
eurjchem-1955	25	16	2019	2019	NUM
eurjchem-1955	25	17	)	)	PUNCT
eurjchem-1955	25	18	which	which	PRON
eurjchem-1955	25	19	showed	show	VERB
eurjchem-1955	25	20	the	the	DET
eurjchem-1955	25	21	statistics	statistic	NOUN
eurjchem-1955	25	22	of	of	ADP
eurjchem-1955	25	23	over	over	ADP
eurjchem-1955	25	24	202	202	NUM
eurjchem-1955	25	25	countries	country	NOUN
eurjchem-1955	25	26	and	and	CCONJ
eurjchem-1955	25	27	territories	territory	NOUN
eurjchem-1955	25	28	that	that	PRON
eurjchem-1955	25	29	account	account	VERB
eurjchem-1955	25	30	for	for	ADP
eurjchem-1955	25	31	more	more	ADJ
eurjchem-1955	25	32	than	than	ADP
eurjchem-1955	25	33	99	99	NUM
eurjchem-1955	25	34	%	%	NOUN
eurjchem-1955	25	35	of	of	ADP
eurjchem-1955	25	36	the	the	DET
eurjchem-1955	25	37	world	world	NOUN
eurjchem-1955	25	38	’s	’s	PART
eurjchem-1955	25	39	population	population	NOUN
eurjchem-1955	25	40	and	and	CCONJ
eurjchem-1955	25	41	estimated	estimate	VERB
eurjchem-1955	25	42	a	a	DET
eurjchem-1955	25	43	high	high	ADJ
eurjchem-1955	25	44	number	number	NOUN
eurjchem-1955	25	45	of	of	ADP
eurjchem-1955	25	46	tb	tb	ADP
eurjchem-1955	25	47	cases	case	NOUN
eurjchem-1955	25	48	.	.	PUNCT
eurjchem-1955	26	1	the	the	DET
eurjchem-1955	26	2	occurrence	occurrence	NOUN
eurjchem-1955	26	3	of	of	ADP
eurjchem-1955	26	4	extensively	extensively	ADV
eurjchem-1955	26	5	drug	drug	NOUN
eurjchem-1955	26	6	-	-	PUNCT
eurjchem-1955	26	7	resistant	resistant	ADJ
eurjchem-1955	26	8	(	(	PUNCT
eurjchem-1955	26	9	xdr	xdr	PROPN
eurjchem-1955	26	10	)	)	PUNCT
eurjchem-1955	26	11	and	and	CCONJ
eurjchem-1955	26	12	the	the	DET
eurjchem-1955	26	13	progression	progression	NOUN
eurjchem-1955	26	14	of	of	ADP
eurjchem-1955	26	15	multidrug	multidrug	NOUN
eurjchem-1955	26	16	-	-	PUNCT
eurjchem-1955	26	17	resistant	resistant	ADJ
eurjchem-1955	26	18	(	(	PUNCT
eurjchem-1955	26	19	mdr	mdr	NOUN
eurjchem-1955	26	20	)	)	PUNCT
eurjchem-1955	26	21	tb	tb	VERB
eurjchem-1955	26	22	have	have	AUX
eurjchem-1955	26	23	attracted	attract	VERB
eurjchem-1955	26	24	the	the	DET
eurjchem-1955	26	25	attention	attention	NOUN
eurjchem-1955	26	26	of	of	ADP
eurjchem-1955	26	27	medicinal	medicinal	ADJ
eurjchem-1955	26	28	chemists	chemist	NOUN
eurjchem-1955	26	29	who	who	PRON
eurjchem-1955	26	30	are	be	AUX
eurjchem-1955	26	31	in	in	ADP
eurjchem-1955	26	32	search	search	NOUN
eurjchem-1955	26	33	of	of	ADP
eurjchem-1955	26	34	novel	novel	ADJ
eurjchem-1955	26	35	inhibitors	inhibitor	NOUN
eurjchem-1955	26	36	with	with	ADP
eurjchem-1955	26	37	improved	improved	ADJ
eurjchem-1955	26	38	bioactivities	bioactivitie	NOUN
eurjchem-1955	26	39	.	.	PUNCT
eurjchem-1955	27	1	literature	literature	NOUN
eurjchem-1955	27	2	has	have	AUX
eurjchem-1955	27	3	shown	show	VERB
eurjchem-1955	27	4	that	that	SCONJ
eurjchem-1955	27	5	imidazo[1,2	imidazo[1,2	NOUN
eurjchem-1955	27	6	-	-	SYM
eurjchem-1955	27	7	a]pyridine-3carboxamide	a]pyridine-3carboxamide	NUM
eurjchem-1955	27	8	(	(	PUNCT
eurjchem-1955	27	9	ipa	ipa	PROPN
eurjchem-1955	27	10	)	)	PUNCT
eurjchem-1955	27	11	as	as	ADP
eurjchem-1955	27	12	an	an	DET
eurjchem-1955	27	13	anti	anti	ADJ
eurjchem-1955	27	14	-	-	ADJ
eurjchem-1955	27	15	tubercular	tubercular	ADJ
eurjchem-1955	27	16	candidate	candidate	NOUN
eurjchem-1955	27	17	is	be	AUX
eurjchem-1955	27	18	currently	currently	ADV
eurjchem-1955	27	19	in	in	ADP
eurjchem-1955	27	20	the	the	DET
eurjchem-1955	27	21	second	second	ADJ
eurjchem-1955	27	22	phase	phase	NOUN
eurjchem-1955	27	23	of	of	ADP
eurjchem-1955	27	24	clinical	clinical	ADJ
eurjchem-1955	27	25	trials	trial	NOUN
eurjchem-1955	27	26	,	,	PUNCT
eurjchem-1955	27	27	and	and	CCONJ
eurjchem-1955	27	28	it	it	PRON
eurjchem-1955	27	29	was	be	AUX
eurjchem-1955	27	30	reported	report	VERB
eurjchem-1955	27	31	to	to	PART
eurjchem-1955	27	32	have	have	VERB
eurjchem-1955	27	33	resilient	resilient	ADJ
eurjchem-1955	27	34	inhibitory	inhibitory	ADJ
eurjchem-1955	27	35	potency	potency	NOUN
eurjchem-1955	27	36	or	or	CCONJ
eurjchem-1955	27	37	anti	anti	ADJ
eurjchem-1955	27	38	-	-	ADJ
eurjchem-1955	27	39	mycobacterial	mycobacterial	ADJ
eurjchem-1955	27	40	activity	activity	NOUN
eurjchem-1955	27	41	[	[	X
eurjchem-1955	27	42	4	4	NUM
eurjchem-1955	27	43	]	]	PUNCT
eurjchem-1955	27	44	.	.	PUNCT
eurjchem-1955	28	1	mycobacterium	mycobacterium	NOUN
eurjchem-1955	28	2	tuberculosis	tuberculosis	NOUN
eurjchem-1955	28	3	dna	dna	PROPN
eurjchem-1955	28	4	gyrase	gyrase	NOUN
eurjchem-1955	28	5	is	be	AUX
eurjchem-1955	28	6	the	the	DET
eurjchem-1955	28	7	only	only	ADJ
eurjchem-1955	28	8	type	type	NOUN
eurjchem-1955	28	9	ii	ii	PROPN
eurjchem-1955	28	10	topoisomerase	topoisomerase	NOUN
eurjchem-1955	28	11	that	that	PRON
eurjchem-1955	28	12	replicates	replicate	VERB
eurjchem-1955	28	13	the	the	DET
eurjchem-1955	28	14	dna	dna	NOUN
eurjchem-1955	28	15	using	use	VERB
eurjchem-1955	28	16	atp	atp	NOUN
eurjchem-1955	28	17	energy	energy	NOUN
eurjchem-1955	28	18	.	.	PUNCT
eurjchem-1955	29	1	it	it	PRON
eurjchem-1955	29	2	is	be	AUX
eurjchem-1955	29	3	made	make	VERB
eurjchem-1955	29	4	up	up	ADP
eurjchem-1955	29	5	of	of	ADP
eurjchem-1955	29	6	gyra	gyra	NOUN
eurjchem-1955	29	7	subunits	subunit	NOUN
eurjchem-1955	29	8	where	where	SCONJ
eurjchem-1955	29	9	the	the	DET
eurjchem-1955	29	10	dna	dna	NOUN
eurjchem-1955	29	11	binding	bind	VERB
eurjchem-1955	29	12	domain	domain	NOUN
eurjchem-1955	29	13	is	be	AUX
eurjchem-1955	29	14	located	locate	VERB
eurjchem-1955	29	15	and	and	CCONJ
eurjchem-1955	29	16	gyrb	gyrb	NOUN
eurjchem-1955	29	17	subunits	subunit	NOUN
eurjchem-1955	29	18	which	which	PRON
eurjchem-1955	29	19	are	be	AUX
eurjchem-1955	29	20	responsible	responsible	ADJ
eurjchem-1955	29	21	for	for	ADP
eurjchem-1955	29	22	atp	atp	NOUN
eurjchem-1955	29	23	activity	activity	NOUN
eurjchem-1955	29	24	.	.	PUNCT
eurjchem-1955	30	1	however	however	ADV
eurjchem-1955	30	2	,	,	PUNCT
eurjchem-1955	30	3	gyr	gyr	PROPN
eurjchem-1955	30	4	a	a	PRON
eurjchem-1955	30	5	or	or	CCONJ
eurjchem-1955	30	6	gry	gry	PROPN
eurjchem-1955	30	7	b	b	NOUN
eurjchem-1955	30	8	can	can	AUX
eurjchem-1955	30	9	be	be	AUX
eurjchem-1955	30	10	blocked	block	VERB
eurjchem-1955	30	11	by	by	ADP
eurjchem-1955	30	12	these	these	DET
eurjchem-1955	30	13	inhibitors	inhibitor	NOUN
eurjchem-1955	30	14	for	for	ADP
eurjchem-1955	30	15	the	the	DET
eurjchem-1955	30	16	termination	termination	NOUN
eurjchem-1955	30	17	of	of	ADP
eurjchem-1955	30	18	the	the	DET
eurjchem-1955	30	19	dna	dna	PROPN
eurjchem-1955	30	20	replication	replication	NOUN
eurjchem-1955	30	21	or	or	CCONJ
eurjchem-1955	30	22	to	to	PART
eurjchem-1955	30	23	prevent	prevent	VERB
eurjchem-1955	30	24	their	their	PRON
eurjchem-1955	30	25	binding	binding	NOUN
eurjchem-1955	30	26	to	to	ADP
eurjchem-1955	30	27	the	the	DET
eurjchem-1955	30	28	dna	dna	NOUN
eurjchem-1955	31	1	[	[	X
eurjchem-1955	31	2	5	5	NUM
eurjchem-1955	31	3	]	]	PUNCT
eurjchem-1955	31	4	.	.	PUNCT
eurjchem-1955	32	1	the	the	DET
eurjchem-1955	32	2	concept	concept	NOUN
eurjchem-1955	32	3	of	of	ADP
eurjchem-1955	32	4	computational	computational	ADJ
eurjchem-1955	32	5	chemistry	chemistry	NOUN
eurjchem-1955	32	6	like	like	ADP
eurjchem-1955	32	7	computer	computer	NOUN
eurjchem-1955	32	8	-	-	PUNCT
eurjchem-1955	32	9	aided	aid	VERB
eurjchem-1955	32	10	drug	drug	NOUN
eurjchem-1955	32	11	design	design	NOUN
eurjchem-1955	32	12	(	(	PUNCT
eurjchem-1955	32	13	cadd	cadd	NOUN
eurjchem-1955	32	14	)	)	PUNCT
eurjchem-1955	32	15	might	might	AUX
eurjchem-1955	32	16	save	save	VERB
eurjchem-1955	32	17	the	the	DET
eurjchem-1955	32	18	time	time	NOUN
eurjchem-1955	32	19	of	of	ADP
eurjchem-1955	32	20	discovering	discover	VERB
eurjchem-1955	32	21	or	or	CCONJ
eurjchem-1955	32	22	designing	design	VERB
eurjchem-1955	32	23	new	new	ADJ
eurjchem-1955	32	24	compounds	compound	NOUN
eurjchem-1955	32	25	with	with	ADP
eurjchem-1955	32	26	better	well	ADJ
eurjchem-1955	32	27	potency	potency	NOUN
eurjchem-1955	32	28	,	,	PUNCT
eurjchem-1955	32	29	and	and	CCONJ
eurjchem-1955	32	30	also	also	ADV
eurjchem-1955	32	31	reduce	reduce	VERB
eurjchem-1955	32	32	the	the	DET
eurjchem-1955	32	33	cost	cost	NOUN
eurjchem-1955	32	34	of	of	ADP
eurjchem-1955	32	35	synthesis	synthesis	NOUN
eurjchem-1955	32	36	[	[	X
eurjchem-1955	32	37	6	6	NUM
eurjchem-1955	32	38	]	]	PUNCT
eurjchem-1955	32	39	.	.	PUNCT
eurjchem-1955	33	1	virtual	virtual	ADJ
eurjchem-1955	33	2	docking	docking	NOUN
eurjchem-1955	33	3	simulation	simulation	NOUN
eurjchem-1955	33	4	is	be	AUX
eurjchem-1955	33	5	very	very	ADV
eurjchem-1955	33	6	important	important	ADJ
eurjchem-1955	33	7	when	when	SCONJ
eurjchem-1955	33	8	carrying	carry	VERB
eurjchem-1955	33	9	out	out	ADP
eurjchem-1955	33	10	a	a	DET
eurjchem-1955	33	11	structure	structure	NOUN
eurjchem-1955	33	12	-	-	PUNCT
eurjchem-1955	33	13	based	base	VERB
eurjchem-1955	33	14	drug	drug	NOUN
eurjchem-1955	33	15	design	design	NOUN
eurjchem-1955	33	16	(	(	PUNCT
eurjchem-1955	33	17	sbdd	sbdd	NOUN
eurjchem-1955	33	18	)	)	PUNCT
eurjchem-1955	33	19	.	.	PUNCT
eurjchem-1955	34	1	molecular	molecular	ADJ
eurjchem-1955	34	2	docking	docking	NOUN
eurjchem-1955	34	3	simulation	simulation	NOUN
eurjchem-1955	34	4	predicts	predict	VERB
eurjchem-1955	34	5	the	the	DET
eurjchem-1955	34	6	binding	bind	VERB
eurjchem-1955	34	7	affinity	affinity	NOUN
eurjchem-1955	34	8	as	as	ADV
eurjchem-1955	34	9	well	well	ADV
eurjchem-1955	34	10	as	as	ADP
eurjchem-1955	34	11	the	the	DET
eurjchem-1955	34	12	binding	bind	VERB
eurjchem-1955	34	13	pose	pose	NOUN
eurjchem-1955	34	14	of	of	ADP
eurjchem-1955	34	15	the	the	DET
eurjchem-1955	34	16	ligand	ligand	NOUN
eurjchem-1955	34	17	with	with	ADP
eurjchem-1955	34	18	the	the	DET
eurjchem-1955	34	19	active	active	ADJ
eurjchem-1955	34	20	sites	site	NOUN
eurjchem-1955	34	21	of	of	ADP
eurjchem-1955	34	22	a	a	DET
eurjchem-1955	34	23	target	target	NOUN
eurjchem-1955	34	24	(	(	PUNCT
eurjchem-1955	34	25	receptor	receptor	NOUN
eurjchem-1955	34	26	)	)	PUNCT
eurjchem-1955	34	27	.	.	PUNCT
eurjchem-1955	35	1	abstract	abstract	ADJ
eurjchem-1955	35	2	research	research	NOUN
eurjchem-1955	35	3	article	article	NOUN
eurjchem-1955	35	4	keywords	keyword	VERB
eurjchem-1955	35	5	european	european	PROPN
eurjchem-1955	35	6	journal	journal	PROPN
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eurjchem-1955	35	8	chemistry	chemistry	NOUN
eurjchem-1955	35	9	issn	issn	VERB
eurjchem-1955	35	10	2153	2153	NUM
eurjchem-1955	35	11	-	-	SYM
eurjchem-1955	35	12	2249	2249	NUM
eurjchem-1955	35	13	(	(	PUNCT
eurjchem-1955	35	14	print	print	NOUN
eurjchem-1955	35	15	)	)	PUNCT
eurjchem-1955	35	16	/	/	PUNCT
eurjchem-1955	35	17	issn	issn	PROPN
eurjchem-1955	35	18	2153	2153	NUM
eurjchem-1955	35	19	-	-	SYM
eurjchem-1955	35	20	2257	2257	NUM
eurjchem-1955	35	21	(	(	PUNCT
eurjchem-1955	35	22	online	online	ADJ
eurjchem-1955	35	23	)	)	PUNCT
eurjchem-1955	35	24	–	–	PUNCT
eurjchem-1955	36	1	copyright	copyright	NOUN
eurjchem-1955	36	2	©	©	PROPN
eurjchem-1955	36	3	2020	2020	NUM
eurjchem-1955	36	4	the	the	DET
eurjchem-1955	36	5	authors	author	NOUN
eurjchem-1955	36	6	–	–	PUNCT
eurjchem-1955	36	7	atlanta	atlanta	PROPN
eurjchem-1955	36	8	publishing	publishing	PROPN
eurjchem-1955	36	9	house	house	PROPN
eurjchem-1955	36	10	llc	llc	PROPN
eurjchem-1955	36	11	–	–	PUNCT
eurjchem-1955	36	12	printed	print	VERB
eurjchem-1955	36	13	in	in	ADP
eurjchem-1955	36	14	the	the	DET
eurjchem-1955	36	15	usa	usa	PROPN
eurjchem-1955	36	16	.	.	PUNCT
eurjchem-1955	37	1	this	this	DET
eurjchem-1955	37	2	work	work	NOUN
eurjchem-1955	37	3	is	be	AUX
eurjchem-1955	37	4	published	publish	VERB
eurjchem-1955	37	5	and	and	CCONJ
eurjchem-1955	37	6	licensed	license	VERB
eurjchem-1955	37	7	by	by	ADP
eurjchem-1955	37	8	atlanta	atlanta	PROPN
eurjchem-1955	37	9	publishing	publishing	PROPN
eurjchem-1955	37	10	house	house	PROPN
eurjchem-1955	37	11	llc	llc	PROPN
eurjchem-1955	37	12	–	–	PUNCT
eurjchem-1955	37	13	cc	cc	PROPN
eurjchem-1955	37	14	by	by	ADP
eurjchem-1955	37	15	nc	nc	PROPN
eurjchem-1955	37	16	–	–	PUNCT
eurjchem-1955	37	17	some	some	DET
eurjchem-1955	37	18	rights	right	NOUN
eurjchem-1955	37	19	reserved	reserve	VERB
eurjchem-1955	37	20	.	.	PUNCT
eurjchem-1955	38	1	http://dx.doi.org/10.5155/eurjchem.11.1.30-36.1955	http://dx.doi.org/10.5155/eurjchem.11.1.30-36.1955	PROPN
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eurjchem-1955	38	3	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.1.30-36.1955&domain=pdf&date_stamp=2020-03-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.1.30-36.1955&domain=pdf&date_stamp=2020-03-31	NOUN
eurjchem-1955	38	4	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-1955	38	5	http://dx.doi.org/10.5155/eurjchem.11.1.30-36.1955	http://dx.doi.org/10.5155/eurjchem.11.1.30-36.1955	PROPN
eurjchem-1955	38	6	mailto:mustychem19@gmail.com	mailto:mustychem19@gmail.com	PROPN
eurjchem-1955	38	7	mailto:adamuuzairu@yahoo.com	mailto:adamuuzairu@yahoo.com	X
eurjchem-1955	39	1	mailto:gashallangwa@gmail.com	mailto:gashallangwa@gmail.com	PROPN
eurjchem-1955	39	2	mailto:abdallahbum@yahoo.com	mailto:abdallahbum@yahoo.com	X
eurjchem-1955	40	1	mailto:muhdtk1988@gmail.com	mailto:muhdtk1988@gmail.com	PROPN
eurjchem-1955	40	2	mailto:davidebukaarthur@gmail.com	mailto:davidebukaarthur@gmail.com	PROPN
eurjchem-1955	40	3	mailto:mustychem19@gmail.com	mailto:mustychem19@gmail.com	PROPN
eurjchem-1955	40	4	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-1955	40	5	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.1.30-36.1955&domain=pdf&date_stamp=2020-03-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.1.30-36.1955&domain=pdf&date_stamp=2020-03-31	PROPN
eurjchem-1955	40	6	�	�	PROPN
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eurjchem-1955	40	8	et	et	PROPN
eurjchem-1955	40	9	al	al	PROPN
eurjchem-1955	40	10	.	.	PUNCT
eurjchem-1955	40	11	/	/	SYM
eurjchem-1955	40	12	european	european	PROPN
eurjchem-1955	40	13	journal	journal	PROPN
eurjchem-1955	40	14	of	of	ADP
eurjchem-1955	40	15	chemistry	chemistry	NOUN
eurjchem-1955	40	16	11	11	NUM
eurjchem-1955	40	17	(	(	PUNCT
eurjchem-1955	40	18	1	1	NUM
eurjchem-1955	40	19	)	)	PUNCT
eurjchem-1955	40	20	(	(	PUNCT
eurjchem-1955	40	21	2020	2020	NUM
eurjchem-1955	40	22	)	)	PUNCT
eurjchem-1955	40	23	30	30	NUM
eurjchem-1955	40	24	-	-	SYM
eurjchem-1955	40	25	36	36	NUM
eurjchem-1955	40	26	31	31	NUM
eurjchem-1955	40	27	table	table	NOUN
eurjchem-1955	40	28	1	1	NUM
eurjchem-1955	40	29	.	.	PUNCT
eurjchem-1955	40	30	substitution	substitution	NOUN
eurjchem-1955	40	31	arrangement	arrangement	NOUN
eurjchem-1955	40	32	of	of	ADP
eurjchem-1955	40	33	the	the	DET
eurjchem-1955	40	34	imidazo	imidazo	NOUN
eurjchem-1955	41	1	[	[	X
eurjchem-1955	41	2	1,2	1,2	NUM
eurjchem-1955	41	3	-	-	SYM
eurjchem-1955	41	4	a	a	X
eurjchem-1955	41	5	]	]	X
eurjchem-1955	41	6	pyridine-3	pyridine-3	NOUN
eurjchem-1955	41	7	-	-	NOUN
eurjchem-1955	41	8	carboxamides	carboxamide	NOUN
eurjchem-1955	41	9	(	(	PUNCT
eurjchem-1955	41	10	ipa	ipa	PROPN
eurjchem-1955	41	11	)	)	PUNCT
eurjchem-1955	41	12	.	.	PUNCT
eurjchem-1955	42	1	n	n	CCONJ
eurjchem-1955	42	2	n	n	PROPN
eurjchem-1955	42	3	r1	r1	PROPN
eurjchem-1955	42	4	nh	nh	PROPN
eurjchem-1955	42	5	o	o	X
eurjchem-1955	42	6	o	o	X
eurjchem-1955	42	7	r3	r3	PROPN
eurjchem-1955	42	8	r2	r2	PROPN
eurjchem-1955	42	9	1	1	NUM
eurjchem-1955	42	10	2	2	NUM
eurjchem-1955	42	11	34	34	NUM
eurjchem-1955	42	12	5	5	NUM
eurjchem-1955	42	13	6	6	NUM
eurjchem-1955	42	14	7	7	NUM
eurjchem-1955	42	15	8	8	NUM
eurjchem-1955	42	16	parent	parent	NOUN
eurjchem-1955	42	17	molecule	molecule	NOUN
eurjchem-1955	42	18	compound	compound	NOUN
eurjchem-1955	42	19	r1	r1	PROPN
eurjchem-1955	42	20	r2	r2	PROPN
eurjchem-1955	42	21	r3	r3	PROPN
eurjchem-1955	42	22	mw	mw	X
eurjchem-1955	42	23	(	(	PUNCT
eurjchem-1955	42	24	g	g	NOUN
eurjchem-1955	42	25	/	/	SYM
eurjchem-1955	42	26	mol	mol	NOUN
eurjchem-1955	42	27	)	)	PUNCT
eurjchem-1955	42	28	1	1	NUM
eurjchem-1955	42	29	6	6	NUM
eurjchem-1955	42	30	-	-	PUNCT
eurjchem-1955	42	31	no2	no2	NOUN
eurjchem-1955	42	32	me	i	PRON
eurjchem-1955	42	33	br	br	PROPN
eurjchem-1955	42	34	419.03	419.03	NUM
eurjchem-1955	42	35	2	2	NUM
eurjchem-1955	42	36	6	6	NUM
eurjchem-1955	42	37	-	-	SYM
eurjchem-1955	42	38	f	f	NOUN
eurjchem-1955	42	39	me	i	PRON
eurjchem-1955	42	40	br	br	VERB
eurjchem-1955	42	41	392.04	392.04	NUM
eurjchem-1955	42	42	3	3	NUM
eurjchem-1955	42	43	6	6	NUM
eurjchem-1955	42	44	-	-	PUNCT
eurjchem-1955	42	45	cl	cl	NOUN
eurjchem-1955	42	46	me	i	PRON
eurjchem-1955	43	1	br	br	VERB
eurjchem-1955	43	2	408.01	408.01	NUM
eurjchem-1955	43	3	4	4	NUM
eurjchem-1955	43	4	6	6	NUM
eurjchem-1955	43	5	-	-	PUNCT
eurjchem-1955	43	6	br	br	NOUN
eurjchem-1955	43	7	me	i	PRON
eurjchem-1955	44	1	br	br	VERB
eurjchem-1955	44	2	451.96	451.96	NUM
eurjchem-1955	44	3	5	5	NUM
eurjchem-1955	44	4	6	6	NUM
eurjchem-1955	44	5	-	-	PUNCT
eurjchem-1955	44	6	ome	ome	NOUN
eurjchem-1955	44	7	me	i	PRON
eurjchem-1955	44	8	br	br	NOUN
eurjchem-1955	44	9	404.06	404.06	NUM
eurjchem-1955	44	10	6	6	NUM
eurjchem-1955	44	11	7	7	NUM
eurjchem-1955	44	12	-	-	PUNCT
eurjchem-1955	44	13	me	i	PRON
eurjchem-1955	44	14	me	i	PRON
eurjchem-1955	44	15	br	br	ADP
eurjchem-1955	44	16	388.06	388.06	NUM
eurjchem-1955	44	17	7	7	NUM
eurjchem-1955	44	18	7	7	NUM
eurjchem-1955	44	19	-	-	PUNCT
eurjchem-1955	44	20	cl	cl	NOUN
eurjchem-1955	44	21	me	i	PRON
eurjchem-1955	44	22	br	br	VERB
eurjchem-1955	44	23	408.01	408.01	NUM
eurjchem-1955	44	24	8	8	NUM
eurjchem-1955	44	25	8	8	NUM
eurjchem-1955	44	26	-	-	PUNCT
eurjchem-1955	44	27	me	i	PRON
eurjchem-1955	44	28	me	i	PRON
eurjchem-1955	44	29	br	br	ADP
eurjchem-1955	44	30	388.06	388.06	NUM
eurjchem-1955	44	31	9	9	NUM
eurjchem-1955	44	32	8	8	NUM
eurjchem-1955	44	33	-	-	PUNCT
eurjchem-1955	44	34	cl	cl	NOUN
eurjchem-1955	44	35	me	i	PRON
eurjchem-1955	45	1	br	br	VERB
eurjchem-1955	45	2	408.01	408.01	NUM
eurjchem-1955	45	3	10	10	NUM
eurjchem-1955	45	4	5	5	NUM
eurjchem-1955	45	5	-	-	PUNCT
eurjchem-1955	45	6	cl	cl	NOUN
eurjchem-1955	45	7	me	i	PRON
eurjchem-1955	45	8	br	br	VERB
eurjchem-1955	45	9	408.01	408.01	NUM
eurjchem-1955	45	10	11	11	NUM
eurjchem-1955	45	11	6	6	NUM
eurjchem-1955	45	12	-	-	PUNCT
eurjchem-1955	45	13	cl	cl	NOUN
eurjchem-1955	45	14	et	et	NOUN
eurjchem-1955	45	15	br	br	NOUN
eurjchem-1955	45	16	422.02	422.02	NUM
eurjchem-1955	45	17	12	12	NUM
eurjchem-1955	45	18	6	6	NUM
eurjchem-1955	45	19	-	-	PUNCT
eurjchem-1955	45	20	f	f	NOUN
eurjchem-1955	45	21	et	et	NOUN
eurjchem-1955	45	22	br	br	NOUN
eurjchem-1955	45	23	406.05	406.05	NUM
eurjchem-1955	45	24	13	13	NUM
eurjchem-1955	45	25	6	6	NUM
eurjchem-1955	45	26	-	-	PUNCT
eurjchem-1955	45	27	br	br	NOUN
eurjchem-1955	45	28	et	et	NOUN
eurjchem-1955	45	29	br	br	NOUN
eurjchem-1955	45	30	465.97	465.97	NUM
eurjchem-1955	45	31	14	14	NUM
eurjchem-1955	45	32	7	7	NUM
eurjchem-1955	45	33	-	-	PUNCT
eurjchem-1955	45	34	cl	cl	NOUN
eurjchem-1955	45	35	et	et	NOUN
eurjchem-1955	45	36	br	br	NOUN
eurjchem-1955	45	37	422.02	422.02	NUM
eurjchem-1955	45	38	15	15	NUM
eurjchem-1955	45	39	8	8	NUM
eurjchem-1955	45	40	-	-	PUNCT
eurjchem-1955	45	41	cl	cl	NOUN
eurjchem-1955	45	42	et	et	NOUN
eurjchem-1955	45	43	br	br	NOUN
eurjchem-1955	45	44	422.02	422.02	NUM
eurjchem-1955	45	45	16	16	NUM
eurjchem-1955	45	46	6	6	NUM
eurjchem-1955	45	47	-	-	PUNCT
eurjchem-1955	45	48	me	i	PRON
eurjchem-1955	45	49	et	et	NOUN
eurjchem-1955	45	50	br	br	NOUN
eurjchem-1955	45	51	402.08	402.08	NUM
eurjchem-1955	45	52	17	17	NUM
eurjchem-1955	45	53	6	6	NUM
eurjchem-1955	45	54	-	-	PUNCT
eurjchem-1955	45	55	me	i	PRON
eurjchem-1955	45	56	n	n	ADV
eurjchem-1955	45	57	-	-	PUNCT
eurjchem-1955	45	58	pr	pr	NOUN
eurjchem-1955	45	59	br	br	NOUN
eurjchem-1955	45	60	416.09	416.09	NUM
eurjchem-1955	45	61	18	18	NUM
eurjchem-1955	45	62	6	6	NUM
eurjchem-1955	45	63	-	-	NUM
eurjchem-1955	45	64	me	i	PRON
eurjchem-1955	45	65	c	c	NOUN
eurjchem-1955	45	66	-	-	PUNCT
eurjchem-1955	45	67	pr	pr	NOUN
eurjchem-1955	45	68	br	br	NOUN
eurjchem-1955	45	69	414.08	414.08	NUM
eurjchem-1955	45	70	19	19	NUM
eurjchem-1955	45	71	6	6	NUM
eurjchem-1955	45	72	-	-	PUNCT
eurjchem-1955	45	73	f	f	NOUN
eurjchem-1955	45	74	n	n	CCONJ
eurjchem-1955	45	75	-	-	PUNCT
eurjchem-1955	45	76	pr	pr	NOUN
eurjchem-1955	45	77	br	br	NOUN
eurjchem-1955	45	78	420.07	420.07	NUM
eurjchem-1955	45	79	20	20	NUM
eurjchem-1955	45	80	6	6	NUM
eurjchem-1955	45	81	-	-	PUNCT
eurjchem-1955	45	82	f	f	NOUN
eurjchem-1955	46	1	c	c	NOUN
eurjchem-1955	46	2	-	-	PUNCT
eurjchem-1955	46	3	pr	pr	NOUN
eurjchem-1955	46	4	br	br	NOUN
eurjchem-1955	46	5	418.05	418.05	NUM
eurjchem-1955	46	6	21	21	NUM
eurjchem-1955	46	7	6	6	NUM
eurjchem-1955	46	8	-	-	PUNCT
eurjchem-1955	46	9	cl	cl	NOUN
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eurjchem-1955	46	11	-	-	PUNCT
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eurjchem-1955	46	13	br	br	NOUN
eurjchem-1955	46	14	436.04	436.04	NUM
eurjchem-1955	46	15	22	22	NUM
eurjchem-1955	46	16	6	6	NUM
eurjchem-1955	46	17	-	-	PUNCT
eurjchem-1955	46	18	cl	cl	NOUN
eurjchem-1955	46	19	c	c	NOUN
eurjchem-1955	46	20	-	-	PUNCT
eurjchem-1955	46	21	pr	pr	NOUN
eurjchem-1955	46	22	br	br	NOUN
eurjchem-1955	46	23	434.02	434.02	NUM
eurjchem-1955	46	24	23	23	NUM
eurjchem-1955	46	25	7	7	NUM
eurjchem-1955	46	26	-	-	PUNCT
eurjchem-1955	46	27	cl	cl	NOUN
eurjchem-1955	46	28	c	c	NOUN
eurjchem-1955	46	29	-	-	PUNCT
eurjchem-1955	46	30	pr	pr	NOUN
eurjchem-1955	46	31	br	br	NOUN
eurjchem-1955	46	32	434.02	434.02	NUM
eurjchem-1955	46	33	24	24	NUM
eurjchem-1955	46	34	7	7	NUM
eurjchem-1955	46	35	-	-	NUM
eurjchem-1955	46	36	me	i	PRON
eurjchem-1955	46	37	c	c	NOUN
eurjchem-1955	46	38	-	-	PUNCT
eurjchem-1955	46	39	pr	pr	NOUN
eurjchem-1955	46	40	br	br	NOUN
eurjchem-1955	46	41	414.08	414.08	NUM
eurjchem-1955	46	42	25	25	NUM
eurjchem-1955	46	43	6	6	NUM
eurjchem-1955	46	44	-	-	PUNCT
eurjchem-1955	46	45	me	i	PRON
eurjchem-1955	46	46	n	n	NOUN
eurjchem-1955	46	47	-	-	PUNCT
eurjchem-1955	46	48	pr	pr	NOUN
eurjchem-1955	46	49	cl	cl	NOUN
eurjchem-1955	46	50	372.14	372.14	NUM
eurjchem-1955	46	51	26	26	NUM
eurjchem-1955	46	52	6	6	NUM
eurjchem-1955	46	53	-	-	PUNCT
eurjchem-1955	46	54	f	f	NOUN
eurjchem-1955	46	55	me	i	PRON
eurjchem-1955	46	56	cl	cl	NOUN
eurjchem-1955	46	57	348.09	348.09	NUM
eurjchem-1955	46	58	27	27	NUM
eurjchem-1955	46	59	7	7	NUM
eurjchem-1955	46	60	-	-	PUNCT
eurjchem-1955	46	61	cl	cl	NOUN
eurjchem-1955	46	62	et	et	NOUN
eurjchem-1955	46	63	cl	cl	NOUN
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eurjchem-1955	46	65	28	28	NUM
eurjchem-1955	46	66	6	6	NUM
eurjchem-1955	46	67	-	-	PUNCT
eurjchem-1955	46	68	cl	cl	NOUN
eurjchem-1955	46	69	et	et	NOUN
eurjchem-1955	46	70	cl	cl	NOUN
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eurjchem-1955	46	72	29	29	NUM
eurjchem-1955	46	73	6	6	NUM
eurjchem-1955	46	74	-	-	PUNCT
eurjchem-1955	46	75	cl	cl	NOUN
eurjchem-1955	46	76	n	n	CCONJ
eurjchem-1955	46	77	-	-	PUNCT
eurjchem-1955	46	78	pr	pr	NOUN
eurjchem-1955	46	79	cl	cl	NOUN
eurjchem-1955	46	80	392.09	392.09	NUM
eurjchem-1955	46	81	30	30	NUM
eurjchem-1955	46	82	6	6	NUM
eurjchem-1955	46	83	-	-	PUNCT
eurjchem-1955	46	84	f	f	NOUN
eurjchem-1955	46	85	n	n	CCONJ
eurjchem-1955	46	86	-	-	PUNCT
eurjchem-1955	46	87	pr	pr	NOUN
eurjchem-1955	46	88	cl	cl	NOUN
eurjchem-1955	46	89	376.12	376.12	NUM
eurjchem-1955	46	90	31	31	NUM
eurjchem-1955	46	91	7	7	NUM
eurjchem-1955	46	92	-	-	PUNCT
eurjchem-1955	46	93	cl	cl	NOUN
eurjchem-1955	46	94	c	c	NOUN
eurjchem-1955	46	95	-	-	PUNCT
eurjchem-1955	46	96	pr	pr	NOUN
eurjchem-1955	46	97	cl	cl	NOUN
eurjchem-1955	46	98	390.07	390.07	NUM
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eurjchem-1955	46	101	-	-	PUNCT
eurjchem-1955	46	102	cl	cl	NOUN
eurjchem-1955	46	103	et	et	NOUN
eurjchem-1955	46	104	ome	ome	NOUN
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eurjchem-1955	46	108	-	-	NUM
eurjchem-1955	46	109	me	i	PRON
eurjchem-1955	46	110	c	c	NOUN
eurjchem-1955	46	111	-	-	PUNCT
eurjchem-1955	46	112	pr	pr	NOUN
eurjchem-1955	46	113	ome	ome	ADP
eurjchem-1955	46	114	366.18	366.18	NUM
eurjchem-1955	46	115	34	34	NUM
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eurjchem-1955	46	117	-	-	PUNCT
eurjchem-1955	46	118	me	i	PRON
eurjchem-1955	46	119	et	et	NOUN
eurjchem-1955	46	120	ome	ome	NOUN
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eurjchem-1955	46	122	35	35	NUM
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eurjchem-1955	46	124	-	-	PUNCT
eurjchem-1955	46	125	br	br	NOUN
eurjchem-1955	46	126	et	et	NOUN
eurjchem-1955	46	127	nn	nn	PROPN
eurjchem-1955	46	128	f	f	PROPN
eurjchem-1955	46	129	522.20	522.20	NUM
eurjchem-1955	46	130	the	the	DET
eurjchem-1955	46	131	ultimate	ultimate	ADJ
eurjchem-1955	46	132	aim	aim	NOUN
eurjchem-1955	46	133	and	and	CCONJ
eurjchem-1955	46	134	objective	objective	NOUN
eurjchem-1955	46	135	of	of	ADP
eurjchem-1955	46	136	the	the	DET
eurjchem-1955	46	137	present	present	ADJ
eurjchem-1955	46	138	study	study	NOUN
eurjchem-1955	46	139	were	be	AUX
eurjchem-1955	46	140	to	to	PART
eurjchem-1955	46	141	perform	perform	VERB
eurjchem-1955	46	142	in	in	ADP
eurjchem-1955	46	143	-	-	PUNCT
eurjchem-1955	46	144	silico	silico	NOUN
eurjchem-1955	46	145	docking	dock	VERB
eurjchem-1955	46	146	analysis	analysis	NOUN
eurjchem-1955	46	147	of	of	ADP
eurjchem-1955	46	148	some	some	DET
eurjchem-1955	46	149	newly	newly	ADV
eurjchem-1955	46	150	synthesized	synthesize	VERB
eurjchem-1955	46	151	ipa	ipa	NOUN
eurjchem-1955	46	152	compounds	compound	NOUN
eurjchem-1955	46	153	as	as	ADP
eurjchem-1955	46	154	a	a	DET
eurjchem-1955	46	155	potent	potent	ADJ
eurjchem-1955	46	156	anti	anti	ADJ
eurjchem-1955	46	157	-	-	ADJ
eurjchem-1955	46	158	tubercular	tubercular	ADJ
eurjchem-1955	46	159	agent	agent	NOUN
eurjchem-1955	46	160	using	use	VERB
eurjchem-1955	46	161	molegro	molegro	ADJ
eurjchem-1955	46	162	virtual	virtual	ADJ
eurjchem-1955	46	163	docker	docker	PROPN
eurjchem-1955	46	164	.	.	PUNCT
eurjchem-1955	47	1	2	2	NUM
eurjchem-1955	47	2	.	.	X
eurjchem-1955	47	3	experimental	experimental	ADJ
eurjchem-1955	47	4	2.1	2.1	NUM
eurjchem-1955	47	5	.	.	PUNCT
eurjchem-1955	48	1	computer	computer	NOUN
eurjchem-1955	48	2	hardware	hardware	NOUN
eurjchem-1955	48	3	and	and	CCONJ
eurjchem-1955	48	4	software	software	NOUN
eurjchem-1955	48	5	dell	dell	NOUN
eurjchem-1955	48	6	computer	computer	NOUN
eurjchem-1955	48	7	system	system	NOUN
eurjchem-1955	48	8	,	,	PUNCT
eurjchem-1955	48	9	with	with	ADP
eurjchem-1955	48	10	processor	processor	NOUN
eurjchem-1955	48	11	properties	property	NOUN
eurjchem-1955	48	12	of	of	ADP
eurjchem-1955	48	13	intel	intel	PROPN
eurjchem-1955	48	14	®	®	NOUN
eurjchem-1955	48	15	core	core	NOUN
eurjchem-1955	48	16	i3	i3	PROPN
eurjchem-1955	48	17	-	-	PUNCT
eurjchem-1955	48	18	6100u	6100u	NOUN
eurjchem-1955	48	19	cpu	cpu	NOUN
eurjchem-1955	48	20	dual@2.30ghz	dual@2.30ghz	NOUN
eurjchem-1955	48	21	,	,	PUNCT
eurjchem-1955	48	22	12	12	NUM
eurjchem-1955	48	23	gb	gb	NOUN
eurjchem-1955	48	24	(	(	PUNCT
eurjchem-1955	48	25	ram	ram	NOUN
eurjchem-1955	48	26	)	)	PUNCT
eurjchem-1955	48	27	was	be	AUX
eurjchem-1955	48	28	used	use	VERB
eurjchem-1955	48	29	to	to	PART
eurjchem-1955	48	30	carry	carry	VERB
eurjchem-1955	48	31	out	out	ADP
eurjchem-1955	48	32	this	this	DET
eurjchem-1955	48	33	computational	computational	ADJ
eurjchem-1955	48	34	study	study	NOUN
eurjchem-1955	48	35	.	.	PUNCT
eurjchem-1955	49	1	the	the	DET
eurjchem-1955	49	2	software	software	NOUN
eurjchem-1955	49	3	packages	package	NOUN
eurjchem-1955	49	4	installed	instal	VERB
eurjchem-1955	49	5	include	include	VERB
eurjchem-1955	49	6	chemdraw	chemdraw	VERB
eurjchem-1955	49	7	ultra	ultra	ADJ
eurjchem-1955	49	8	software	software	NOUN
eurjchem-1955	49	9	v.	v.	ADP
eurjchem-1955	49	10	12.0.2	12.0.2	NUM
eurjchem-1955	50	1	[	[	X
eurjchem-1955	50	2	7	7	NUM
eurjchem-1955	50	3	]	]	PUNCT
eurjchem-1955	50	4	,	,	PUNCT
eurjchem-1955	50	5	spartan’14	spartan’14	VERB
eurjchem-1955	50	6	v	v	NUM
eurjchem-1955	50	7	1.1.2	1.1.2	NUM
eurjchem-1955	50	8	[	[	X
eurjchem-1955	50	9	8	8	NUM
eurjchem-1955	50	10	]	]	PUNCT
eurjchem-1955	50	11	developed	develop	VERB
eurjchem-1955	50	12	by	by	ADP
eurjchem-1955	50	13	wavefunction	wavefunction	PROPN
eurjchem-1955	50	14	inc	inc	PROPN
eurjchem-1955	50	15	.	.	PROPN
eurjchem-1955	50	16	,	,	PUNCT
eurjchem-1955	50	17	molegro	molegro	ADJ
eurjchem-1955	50	18	virtual	virtual	ADJ
eurjchem-1955	50	19	docker	docker	PROPN
eurjchem-1955	51	1	[	[	X
eurjchem-1955	51	2	9	9	NUM
eurjchem-1955	51	3	]	]	PUNCT
eurjchem-1955	51	4	and	and	CCONJ
eurjchem-1955	51	5	discovery	discovery	PROPN
eurjchem-1955	51	6	studio	studio	NOUN
eurjchem-1955	51	7	visualizer	visualizer	NOUN
eurjchem-1955	51	8	v.	v.	ADP
eurjchem-1955	51	9	16.1	16.1	NUM
eurjchem-1955	51	10	[	[	X
eurjchem-1955	51	11	10	10	NUM
eurjchem-1955	51	12	]	]	PUNCT
eurjchem-1955	51	13	.	.	PUNCT
eurjchem-1955	52	1	2.2	2.2	NUM
eurjchem-1955	52	2	.	.	PUNCT
eurjchem-1955	52	3	virtual	virtual	ADJ
eurjchem-1955	52	4	docking	docking	NOUN
eurjchem-1955	52	5	method	method	NOUN
eurjchem-1955	52	6	2.2.1	2.2.1	NUM
eurjchem-1955	52	7	.	.	PUNCT
eurjchem-1955	53	1	equilibrium	equilibrium	NOUN
eurjchem-1955	53	2	geometry	geometry	NOUN
eurjchem-1955	53	3	of	of	ADP
eurjchem-1955	53	4	ligands	ligand	NOUN
eurjchem-1955	53	5	and	and	CCONJ
eurjchem-1955	53	6	protein	protein	NOUN
eurjchem-1955	53	7	structure	structure	NOUN
eurjchem-1955	53	8	thirty	thirty	NUM
eurjchem-1955	53	9	-	-	PUNCT
eurjchem-1955	53	10	five	five	NUM
eurjchem-1955	53	11	compounds	compound	NOUN
eurjchem-1955	53	12	were	be	AUX
eurjchem-1955	53	13	selected	select	VERB
eurjchem-1955	53	14	from	from	ADP
eurjchem-1955	53	15	the	the	DET
eurjchem-1955	53	16	newly	newly	ADV
eurjchem-1955	53	17	discovered	discover	VERB
eurjchem-1955	53	18	and	and	CCONJ
eurjchem-1955	53	19	synthesized	synthesize	VERB
eurjchem-1955	53	20	series	series	NOUN
eurjchem-1955	53	21	of	of	ADP
eurjchem-1955	53	22	n-(2	n-(2	PROPN
eurjchem-1955	53	23	-	-	PUNCT
eurjchem-1955	53	24	phenoxy	phenoxy	NOUN
eurjchem-1955	53	25	)	)	PUNCT
eurjchem-1955	53	26	ethyl	ethyl	PROPN
eurjchem-1955	53	27	imidazo[1,2	imidazo[1,2	PROPN
eurjchem-1955	53	28	-	-	PUNCT
eurjchem-1955	53	29	a	a	X
eurjchem-1955	53	30	]	]	X
eurjchem-1955	53	31	pyridine-3	pyridine-3	NUM
eurjchem-1955	53	32	-	-	NOUN
eurjchem-1955	53	33	carboxamide	carboxamide	NOUN
eurjchem-1955	53	34	(	(	PUNCT
eurjchem-1955	53	35	ipa	ipa	PROPN
eurjchem-1955	53	36	)	)	PUNCT
eurjchem-1955	53	37	as	as	ADP
eurjchem-1955	53	38	antitubercular	antitubercular	ADJ
eurjchem-1955	53	39	agents	agent	NOUN
eurjchem-1955	53	40	[	[	X
eurjchem-1955	53	41	11	11	NUM
eurjchem-1955	53	42	]	]	PUNCT
eurjchem-1955	53	43	.	.	PUNCT
eurjchem-1955	54	1	the	the	DET
eurjchem-1955	54	2	chemical	chemical	ADJ
eurjchem-1955	54	3	structure	structure	NOUN
eurjchem-1955	54	4	of	of	ADP
eurjchem-1955	54	5	the	the	DET
eurjchem-1955	54	6	compounds	compound	NOUN
eurjchem-1955	54	7	were	be	AUX
eurjchem-1955	54	8	drawn	draw	VERB
eurjchem-1955	54	9	using	use	VERB
eurjchem-1955	54	10	chemdraw	chemdraw	NOUN
eurjchem-1955	54	11	ultralevel	ultralevel	NOUN
eurjchem-1955	54	12	software	software	NOUN
eurjchem-1955	55	1	v12.0.2	v12.0.2	PROPN
eurjchem-1955	55	2	(	(	PUNCT
eurjchem-1955	55	3	table	table	NOUN
eurjchem-1955	55	4	1	1	NUM
eurjchem-1955	55	5	)	)	PUNCT
eurjchem-1955	55	6	,	,	PUNCT
eurjchem-1955	55	7	then	then	ADV
eurjchem-1955	55	8	geometrically	geometrically	ADV
eurjchem-1955	55	9	optimized	optimize	VERB
eurjchem-1955	55	10	using	use	VERB
eurjchem-1955	55	11	spartan	spartan	ADJ
eurjchem-1955	55	12	14	14	NUM
eurjchem-1955	55	13	software	software	NOUN
eurjchem-1955	55	14	at	at	ADP
eurjchem-1955	55	15	ground	ground	NOUN
eurjchem-1955	55	16	state	state	NOUN
eurjchem-1955	55	17	with	with	ADP
eurjchem-1955	55	18	density	density	NOUN
eurjchem-1955	55	19	functional	functional	ADJ
eurjchem-1955	55	20	theory	theory	NOUN
eurjchem-1955	55	21	(	(	PUNCT
eurjchem-1955	55	22	dft	dft	PROPN
eurjchem-1955	55	23	/	/	SYM
eurjchem-1955	55	24	b3lyp/6	b3lyp/6	PROPN
eurjchem-1955	55	25	-	-	X
eurjchem-1955	55	26	31	31	NUM
eurjchem-1955	55	27	g	g	NOUN
eurjchem-1955	55	28	*	*	PROPN
eurjchem-1955	55	29	*	*	PUNCT
eurjchem-1955	56	1	[	[	X
eurjchem-1955	56	2	12	12	NUM
eurjchem-1955	56	3	-	-	SYM
eurjchem-1955	56	4	15	15	NUM
eurjchem-1955	56	5	]	]	PUNCT
eurjchem-1955	56	6	in	in	ADP
eurjchem-1955	56	7	a	a	DET
eurjchem-1955	56	8	vacuum	vacuum	NOUN
eurjchem-1955	56	9	which	which	PRON
eurjchem-1955	56	10	is	be	AUX
eurjchem-1955	56	11	finally	finally	ADV
eurjchem-1955	56	12	saved	save	VERB
eurjchem-1955	56	13	as	as	ADP
eurjchem-1955	56	14	protein	protein	NOUN
eurjchem-1955	56	15	data	data	PROPN
eurjchem-1955	56	16	bank	bank	PROPN
eurjchem-1955	56	17	(	(	PUNCT
eurjchem-1955	56	18	pdb	pdb	NOUN
eurjchem-1955	56	19	)	)	PUNCT
eurjchem-1955	56	20	file	file	NOUN
eurjchem-1955	56	21	format	format	NOUN
eurjchem-1955	56	22	[	[	X
eurjchem-1955	56	23	16	16	NUM
eurjchem-1955	56	24	]	]	PUNCT
eurjchem-1955	56	25	.	.	PUNCT
eurjchem-1955	57	1	the	the	DET
eurjchem-1955	57	2	crystal	crystal	NOUN
eurjchem-1955	57	3	structure	structure	NOUN
eurjchem-1955	57	4	of	of	ADP
eurjchem-1955	57	5	the	the	DET
eurjchem-1955	57	6	mycobacterium	mycobacterium	NOUN
eurjchem-1955	57	7	tuberculosis	tuberculosis	NOUN
eurjchem-1955	57	8	dna	dna	PROPN
eurjchem-1955	57	9	gyrase	gyrase	NOUN
eurjchem-1955	57	10	was	be	AUX
eurjchem-1955	57	11	downloaded	download	VERB
eurjchem-1955	57	12	from	from	ADP
eurjchem-1955	57	13	the	the	DET
eurjchem-1955	57	14	protein	protein	NOUN
eurjchem-1955	57	15	data	datum	NOUN
eurjchem-1955	57	16	bank	bank	NOUN
eurjchem-1955	57	17	website	website	NOUN
eurjchem-1955	57	18	http://www.rcsb.org	http://www.rcsb.org	PUNCT
eurjchem-1955	57	19	with	with	ADP
eurjchem-1955	57	20	pdb	pdb	PROPN
eurjchem-1955	57	21	code	code	PROPN
eurjchem-1955	57	22	:	:	PUNCT
eurjchem-1955	57	23	3ig0	3ig0	NUM
eurjchem-1955	57	24	,	,	PUNCT
eurjchem-1955	57	25	at	at	ADP
eurjchem-1955	57	26	2.1	2.1	NUM
eurjchem-1955	57	27	å	å	NOUN
eurjchem-1955	57	28	resolution	resolution	NOUN
eurjchem-1955	57	29	of	of	ADP
eurjchem-1955	57	30	the	the	DET
eurjchem-1955	57	31	model	model	NOUN
eurjchem-1955	57	32	quality	quality	NOUN
eurjchem-1955	57	33	from	from	ADP
eurjchem-1955	57	34	x	x	ADJ
eurjchem-1955	57	35	-	-	NOUN
eurjchem-1955	57	36	ray	ray	NOUN
eurjchem-1955	57	37	diffraction	diffraction	NOUN
eurjchem-1955	57	38	method	method	NOUN
eurjchem-1955	57	39	[	[	X
eurjchem-1955	57	40	17	17	NUM
eurjchem-1955	57	41	]	]	SYM
eurjchem-1955	57	42	.	.	PUNCT
eurjchem-1955	58	1	2.2.2	2.2.2	X
eurjchem-1955	58	2	.	.	X
eurjchem-1955	58	3	virtual	virtual	ADJ
eurjchem-1955	58	4	docking	docking	NOUN
eurjchem-1955	58	5	study	study	VERB
eurjchem-1955	58	6	the	the	DET
eurjchem-1955	58	7	docking	docking	NOUN
eurjchem-1955	58	8	simulation	simulation	NOUN
eurjchem-1955	58	9	in	in	ADP
eurjchem-1955	58	10	this	this	DET
eurjchem-1955	58	11	study	study	NOUN
eurjchem-1955	58	12	was	be	AUX
eurjchem-1955	58	13	carried	carry	VERB
eurjchem-1955	58	14	out	out	ADP
eurjchem-1955	58	15	using	use	VERB
eurjchem-1955	58	16	molegro	molegro	ADJ
eurjchem-1955	58	17	virtual	virtual	ADJ
eurjchem-1955	58	18	docker	docker	PROPN
eurjchem-1955	58	19	(	(	PUNCT
eurjchem-1955	58	20	mvd	mvd	PROPN
eurjchem-1955	58	21	)	)	PUNCT
eurjchem-1955	58	22	software	software	NOUN
eurjchem-1955	58	23	version	version	NOUN
eurjchem-1955	58	24	2013.6.0	2013.6.0	NUM
eurjchem-1955	59	1	[	[	X
eurjchem-1955	59	2	18	18	NUM
eurjchem-1955	59	3	]	]	PUNCT
eurjchem-1955	59	4	developed	develop	VERB
eurjchem-1955	59	5	by	by	ADP
eurjchem-1955	59	6	the	the	DET
eurjchem-1955	59	7	clc	clc	PROPN
eurjchem-1955	59	8	-	-	PUNCT
eurjchem-1955	59	9	bio	bio	PROPN
eurjchem-1955	59	10	company	company	NOUN
eurjchem-1955	59	11	.	.	PUNCT
eurjchem-1955	60	1	at	at	ADP
eurjchem-1955	60	2	first	first	ADV
eurjchem-1955	60	3	,	,	PUNCT
eurjchem-1955	60	4	before	before	SCONJ
eurjchem-1955	60	5	the	the	DET
eurjchem-1955	60	6	docking	docking	NOUN
eurjchem-1955	60	7	process	process	NOUN
eurjchem-1955	60	8	begins	begin	VERB
eurjchem-1955	60	9	,	,	PUNCT
eurjchem-1955	60	10	the	the	DET
eurjchem-1955	60	11	protein	protein	NOUN
eurjchem-1955	60	12	structure	structure	NOUN
eurjchem-1955	60	13	and	and	CCONJ
eurjchem-1955	60	14	the	the	DET
eurjchem-1955	60	15	optimized	optimize	VERB
eurjchem-1955	60	16	ligands	ligand	NOUN
eurjchem-1955	60	17	were	be	AUX
eurjchem-1955	60	18	appropriately	appropriately	ADV
eurjchem-1955	60	19	prepared	prepare	VERB
eurjchem-1955	60	20	.	.	PUNCT
eurjchem-1955	61	1	all	all	DET
eurjchem-1955	61	2	structural	structural	ADJ
eurjchem-1955	61	3	errors	error	NOUN
eurjchem-1955	61	4	in	in	ADP
eurjchem-1955	61	5	the	the	DET
eurjchem-1955	61	6	amino	amino	NOUN
eurjchem-1955	61	7	acid	acid	NOUN
eurjchem-1955	61	8	residue	residue	NOUN
eurjchem-1955	61	9	of	of	ADP
eurjchem-1955	61	10	the	the	DET
eurjchem-1955	61	11	protein	protein	NOUN
eurjchem-1955	61	12	were	be	AUX
eurjchem-1955	61	13	checked	check	VERB
eurjchem-1955	61	14	and	and	CCONJ
eurjchem-1955	61	15	repaired	repair	VERB
eurjchem-1955	61	16	[	[	X
eurjchem-1955	61	17	19	19	NUM
eurjchem-1955	61	18	]	]	PUNCT
eurjchem-1955	61	19	.	.	PUNCT
eurjchem-1955	62	1	consequently	consequently	ADV
eurjchem-1955	62	2	,	,	PUNCT
eurjchem-1955	62	3	bonds	bond	NOUN
eurjchem-1955	62	4	,	,	PUNCT
eurjchem-1955	62	5	bond	bond	NOUN
eurjchem-1955	62	6	orders	order	NOUN
eurjchem-1955	62	7	,	,	PUNCT
eurjchem-1955	62	8	hybriddization	hybriddization	NOUN
eurjchem-1955	62	9	,	,	PUNCT
eurjchem-1955	62	10	charges	charge	NOUN
eurjchem-1955	62	11	(	(	PUNCT
eurjchem-1955	62	12	calculated	calculate	VERB
eurjchem-1955	62	13	by	by	ADP
eurjchem-1955	62	14	mvd	mvd	PROPN
eurjchem-1955	62	15	)	)	PUNCT
eurjchem-1955	62	16	were	be	AUX
eurjchem-1955	62	17	assigned	assign	VERB
eurjchem-1955	62	18	to	to	ADP
eurjchem-1955	62	19	the	the	DET
eurjchem-1955	62	20	models	model	NOUN
eurjchem-1955	62	21	(	(	PUNCT
eurjchem-1955	62	22	protein	protein	NOUN
eurjchem-1955	62	23	and	and	CCONJ
eurjchem-1955	62	24	ligands	ligand	NOUN
eurjchem-1955	62	25	)	)	PUNCT
eurjchem-1955	62	26	.	.	PUNCT
eurjchem-1955	63	1	in	in	ADP
eurjchem-1955	63	2	addition	addition	NOUN
eurjchem-1955	63	3	,	,	PUNCT
eurjchem-1955	63	4	explicit	explicit	ADJ
eurjchem-1955	63	5	hydrogens	hydrogen	NOUN
eurjchem-1955	63	6	were	be	AUX
eurjchem-1955	63	7	created	create	VERB
eurjchem-1955	63	8	,	,	PUNCT
eurjchem-1955	63	9	and	and	CCONJ
eurjchem-1955	63	10	flexible	flexible	ADJ
eurjchem-1955	63	11	torsions	torsion	NOUN
eurjchem-1955	63	12	in	in	ADP
eurjchem-1955	63	13	ligands	ligand	NOUN
eurjchem-1955	63	14	were	be	AUX
eurjchem-1955	63	15	detected	detect	VERB
eurjchem-1955	63	16	.	.	PUNCT
eurjchem-1955	64	1	2.2.3	2.2.3	X
eurjchem-1955	64	2	.	.	PUNCT
eurjchem-1955	65	1	docking	dock	VERB
eurjchem-1955	65	2	parameters	parameter	NOUN
eurjchem-1955	65	3	m.	m.	NOUN
eurjchem-1955	65	4	tuberculosis	tuberculosis	ADP
eurjchem-1955	65	5	dna	dna	PROPN
eurjchem-1955	65	6	gyrase	gyrase	NOUN
eurjchem-1955	65	7	has	have	VERB
eurjchem-1955	65	8	185	185	NUM
eurjchem-1955	65	9	amino	amino	NOUN
eurjchem-1955	65	10	acid	acid	NOUN
eurjchem-1955	65	11	residues	residue	NOUN
eurjchem-1955	65	12	on	on	ADP
eurjchem-1955	65	13	the	the	DET
eurjchem-1955	65	14	terminal	terminal	ADJ
eurjchem-1955	65	15	chain	chain	NOUN
eurjchem-1955	65	16	of	of	ADP
eurjchem-1955	65	17	the	the	DET
eurjchem-1955	65	18	protein	protein	NOUN
eurjchem-1955	65	19	which	which	PRON
eurjchem-1955	65	20	is	be	AUX
eurjchem-1955	65	21	a	a	DET
eurjchem-1955	65	22	small	small	ADJ
eurjchem-1955	65	23	protein	protein	NOUN
eurjchem-1955	65	24	.	.	PUNCT
eurjchem-1955	66	1	hence	hence	ADV
eurjchem-1955	66	2	,	,	PUNCT
eurjchem-1955	66	3	the	the	DET
eurjchem-1955	66	4	docking	docking	NOUN
eurjchem-1955	66	5	radius	radius	NOUN
eurjchem-1955	66	6	was	be	AUX
eurjchem-1955	66	7	set	set	VERB
eurjchem-1955	66	8	on	on	ADP
eurjchem-1955	66	9	18	18	NUM
eurjchem-1955	66	10	å	å	NOUN
eurjchem-1955	66	11	so	so	SCONJ
eurjchem-1955	66	12	as	as	SCONJ
eurjchem-1955	66	13	to	to	PART
eurjchem-1955	66	14	cover	cover	VERB
eurjchem-1955	66	15	the	the	DET
eurjchem-1955	66	16	2020	2020	NUM
eurjchem-1955	66	17	–	–	PUNCT
eurjchem-1955	66	18	european	european	ADJ
eurjchem-1955	66	19	journal	journal	NOUN
eurjchem-1955	66	20	of	of	ADP
eurjchem-1955	66	21	chemistry	chemistry	NOUN
eurjchem-1955	66	22	–	–	PUNCT
eurjchem-1955	66	23	cc	cc	NOUN
eurjchem-1955	66	24	by	by	ADP
eurjchem-1955	66	25	nc	nc	PROPN
eurjchem-1955	66	26	–	–	PUNCT
eurjchem-1955	66	27	doi	doi	NOUN
eurjchem-1955	66	28	:	:	PUNCT
eurjchem-1955	66	29	10.5155	10.5155	NUM
eurjchem-1955	66	30	/	/	SYM
eurjchem-1955	66	31	eurjchem.11.1.30	eurjchem.11.1.30	NOUN
eurjchem-1955	66	32	-	-	PUNCT
eurjchem-1955	66	33	36.1950	36.1950	NUM
eurjchem-1955	66	34	http://www.rcsb.org/	http://www.rcsb.org/	NOUN
eurjchem-1955	66	35	32	32	NUM
eurjchem-1955	66	36	abdullahi	abdullahi	PROPN
eurjchem-1955	66	37	et	et	PROPN
eurjchem-1955	66	38	al	al	PROPN
eurjchem-1955	66	39	.	.	PUNCT
eurjchem-1955	66	40	/	/	SYM
eurjchem-1955	66	41	european	european	PROPN
eurjchem-1955	66	42	journal	journal	PROPN
eurjchem-1955	66	43	of	of	ADP
eurjchem-1955	66	44	chemistry	chemistry	NOUN
eurjchem-1955	66	45	11	11	NUM
eurjchem-1955	66	46	(	(	PUNCT
eurjchem-1955	66	47	1	1	NUM
eurjchem-1955	66	48	)	)	PUNCT
eurjchem-1955	66	49	(	(	PUNCT
eurjchem-1955	66	50	2020	2020	NUM
eurjchem-1955	66	51	)	)	PUNCT
eurjchem-1955	66	52	30	30	NUM
eurjchem-1955	66	53	-	-	SYM
eurjchem-1955	66	54	36	36	NUM
eurjchem-1955	66	55	entire	entire	ADJ
eurjchem-1955	66	56	surface	surface	NOUN
eurjchem-1955	66	57	of	of	ADP
eurjchem-1955	66	58	the	the	DET
eurjchem-1955	66	59	detected	detect	VERB
eurjchem-1955	66	60	cavities	cavity	NOUN
eurjchem-1955	66	61	in	in	ADP
eurjchem-1955	66	62	the	the	DET
eurjchem-1955	66	63	binding	bind	VERB
eurjchem-1955	66	64	sites	site	NOUN
eurjchem-1955	66	65	.	.	PUNCT
eurjchem-1955	67	1	moldock	moldock	NOUN
eurjchem-1955	67	2	scoring	scoring	NOUN
eurjchem-1955	67	3	function	function	NOUN
eurjchem-1955	67	4	at	at	ADP
eurjchem-1955	67	5	0.30	0.30	NUM
eurjchem-1955	67	6	å	å	PROPN
eurjchem-1955	67	7	grid	grid	NOUN
eurjchem-1955	67	8	resolutions	resolution	NOUN
eurjchem-1955	67	9	was	be	AUX
eurjchem-1955	67	10	selected	select	VERB
eurjchem-1955	67	11	for	for	ADP
eurjchem-1955	67	12	the	the	DET
eurjchem-1955	67	13	docking	docking	NOUN
eurjchem-1955	67	14	process	process	NOUN
eurjchem-1955	67	15	.	.	PUNCT
eurjchem-1955	68	1	the	the	DET
eurjchem-1955	68	2	choice	choice	NOUN
eurjchem-1955	68	3	of	of	ADP
eurjchem-1955	68	4	moldock	moldock	NOUN
eurjchem-1955	68	5	is	be	AUX
eurjchem-1955	68	6	based	base	VERB
eurjchem-1955	68	7	on	on	ADP
eurjchem-1955	68	8	the	the	DET
eurjchem-1955	68	9	fact	fact	NOUN
eurjchem-1955	68	10	that	that	SCONJ
eurjchem-1955	68	11	it	it	PRON
eurjchem-1955	68	12	is	be	AUX
eurjchem-1955	68	13	a	a	DET
eurjchem-1955	68	14	fast	fast	ADJ
eurjchem-1955	68	15	and	and	CCONJ
eurjchem-1955	68	16	accurate	accurate	ADJ
eurjchem-1955	68	17	scoring	scoring	NOUN
eurjchem-1955	68	18	function	function	NOUN
eurjchem-1955	68	19	[	[	X
eurjchem-1955	68	20	20,21	20,21	NUM
eurjchem-1955	68	21	]	]	PUNCT
eurjchem-1955	68	22	.	.	PUNCT
eurjchem-1955	69	1	subsequently	subsequently	ADV
eurjchem-1955	69	2	,	,	PUNCT
eurjchem-1955	69	3	an	an	DET
eurjchem-1955	69	4	alternative	alternative	ADJ
eurjchem-1955	69	5	scoring	scoring	NOUN
eurjchem-1955	69	6	function	function	NOUN
eurjchem-1955	69	7	termed	term	VERB
eurjchem-1955	69	8	as	as	SCONJ
eurjchem-1955	69	9	plants	plant	NOUN
eurjchem-1955	69	10	score	score	NOUN
eurjchem-1955	69	11	was	be	AUX
eurjchem-1955	69	12	also	also	ADV
eurjchem-1955	69	13	used	use	VERB
eurjchem-1955	69	14	to	to	PART
eurjchem-1955	69	15	recheck	recheck	VERB
eurjchem-1955	69	16	and	and	CCONJ
eurjchem-1955	69	17	generate	generate	VERB
eurjchem-1955	69	18	the	the	DET
eurjchem-1955	69	19	binding	bind	VERB
eurjchem-1955	69	20	scores	score	NOUN
eurjchem-1955	69	21	of	of	ADP
eurjchem-1955	69	22	the	the	DET
eurjchem-1955	69	23	complexes	complex	NOUN
eurjchem-1955	69	24	formed	form	VERB
eurjchem-1955	69	25	.	.	PUNCT
eurjchem-1955	70	1	moldock	moldock	PROPN
eurjchem-1955	70	2	operation	operation	PROPN
eurjchem-1955	70	3	in	in	ADP
eurjchem-1955	70	4	mvd	mvd	PROPN
eurjchem-1955	70	5	software	software	PROPN
eurjchem-1955	70	6	employed	employ	VERB
eurjchem-1955	70	7	piecewise	piecewise	NOUN
eurjchem-1955	70	8	linear	linear	NOUN
eurjchem-1955	70	9	potential	potential	NOUN
eurjchem-1955	70	10	(	(	PUNCT
eurjchem-1955	70	11	plp	plp	PROPN
eurjchem-1955	70	12	)	)	PUNCT
eurjchem-1955	70	13	scoring	scoring	NOUN
eurjchem-1955	70	14	function	function	NOUN
eurjchem-1955	70	15	,	,	PUNCT
eurjchem-1955	70	16	it	it	PRON
eurjchem-1955	70	17	takes	take	VERB
eurjchem-1955	70	18	charges	charge	NOUN
eurjchem-1955	70	19	and	and	CCONJ
eurjchem-1955	70	20	directionality	directionality	NOUN
eurjchem-1955	70	21	of	of	ADP
eurjchem-1955	70	22	hydrogen	hydrogen	NOUN
eurjchem-1955	70	23	bonding	bonding	NOUN
eurjchem-1955	70	24	into	into	ADP
eurjchem-1955	70	25	consideration	consideration	NOUN
eurjchem-1955	70	26	.	.	PUNCT
eurjchem-1955	71	1	the	the	DET
eurjchem-1955	71	2	docking	docking	NOUN
eurjchem-1955	71	3	scoring	scoring	NOUN
eurjchem-1955	71	4	function	function	NOUN
eurjchem-1955	71	5	is	be	AUX
eurjchem-1955	71	6	defined	define	VERB
eurjchem-1955	71	7	as	as	ADP
eurjchem-1955	71	8	;	;	PUNCT
eurjchem-1955	71	9	score	score	VERB
eurjchem-1955	71	10	intra	intra	X
eurjchem-1955	71	11	inter	inter	PROPN
eurjchem-1955	71	12	e	e	PROPN
eurjchem-1955	71	13	e	e	NOUN
eurjchem-1955	71	14	e=	e=	X
eurjchem-1955	71	15	+	+	CCONJ
eurjchem-1955	71	16	(	(	PUNCT
eurjchem-1955	71	17	1	1	X
eurjchem-1955	71	18	)	)	PUNCT
eurjchem-1955	71	19	where	where	SCONJ
eurjchem-1955	71	20	eintra	eintra	PROPN
eurjchem-1955	71	21	is	be	AUX
eurjchem-1955	71	22	the	the	DET
eurjchem-1955	71	23	internal	internal	ADJ
eurjchem-1955	71	24	energy	energy	NOUN
eurjchem-1955	71	25	of	of	ADP
eurjchem-1955	71	26	the	the	DET
eurjchem-1955	71	27	ligand	ligand	NOUN
eurjchem-1955	71	28	which	which	PRON
eurjchem-1955	71	29	computed	compute	VERB
eurjchem-1955	71	30	as	as	ADP
eurjchem-1955	71	31	,	,	PUNCT
eurjchem-1955	71	32	(	(	PUNCT
eurjchem-1955	71	33	)	)	PUNCT
eurjchem-1955	72	1	[	[	PUNCT
eurjchem-1955	72	2	]	]	X
eurjchem-1955	72	3	intra	intra	ADJ
eurjchem-1955	72	4	plp	plp	PROPN
eurjchem-1955	72	5	ij	ij	NOUN
eurjchem-1955	72	6	0	0	NUM
eurjchem-1955	72	7	clash	clash	VERB
eurjchem-1955	72	8	i	i	PRON
eurjchem-1955	72	9	ligandj	ligandj	NOUN
eurjchem-1955	72	10	ligand	ligand	VERB
eurjchem-1955	72	11	flexible	flexible	ADJ
eurjchem-1955	72	12	bonds	bond	NOUN
eurjchem-1955	72	13	e	e	X
eurjchem-1955	72	14	e	e	NOUN
eurjchem-1955	72	15	r	r	NOUN
eurjchem-1955	72	16	a	a	DET
eurjchem-1955	72	17	1	1	NUM
eurjchem-1955	72	18	cos(mθ	cos(mθ	NOUN
eurjchem-1955	72	19	θ	θ	PROPN
eurjchem-1955	72	20	e	e	NOUN
eurjchem-1955	72	21	m	m	VERB
eurjchem-1955	72	22	m	m	VERB
eurjchem-1955	72	23	=	=	ADJ
eurjchem-1955	73	1	+	+	CCONJ
eurjchem-1955	73	2	−	−	NOUN
eurjchem-1955	73	3	−	−	PROPN
eurjchem-1955	74	1	+	+	NOUN
eurjchem-1955	74	2	∑	∑	PROPN
eurjchem-1955	74	3	∑	∑	PROPN
eurjchem-1955	74	4	∑	∑	PROPN
eurjchem-1955	74	5	(	(	PUNCT
eurjchem-1955	74	6	2	2	NUM
eurjchem-1955	74	7	)	)	PUNCT
eurjchem-1955	74	8	the	the	DET
eurjchem-1955	74	9	twofold	twofold	ADJ
eurjchem-1955	74	10	summation	summation	NOUN
eurjchem-1955	74	11	in	in	ADP
eurjchem-1955	74	12	the	the	DET
eurjchem-1955	74	13	expression	expression	NOUN
eurjchem-1955	74	14	is	be	AUX
eurjchem-1955	74	15	between	between	ADP
eurjchem-1955	74	16	allatom	allatom	NOUN
eurjchem-1955	74	17	pairs	pair	NOUN
eurjchem-1955	74	18	in	in	ADP
eurjchem-1955	74	19	the	the	DET
eurjchem-1955	74	20	ligand	ligand	NOUN
eurjchem-1955	74	21	with	with	ADP
eurjchem-1955	74	22	the	the	DET
eurjchem-1955	74	23	exception	exception	NOUN
eurjchem-1955	74	24	of	of	ADP
eurjchem-1955	74	25	those	those	DET
eurjchem-1955	74	26	atom	atom	NOUN
eurjchem-1955	74	27	pairs	pair	NOUN
eurjchem-1955	74	28	which	which	PRON
eurjchem-1955	74	29	are	be	AUX
eurjchem-1955	74	30	connected	connect	VERB
eurjchem-1955	74	31	with	with	ADP
eurjchem-1955	74	32	less	less	ADJ
eurjchem-1955	74	33	than	than	ADP
eurjchem-1955	74	34	two	two	NUM
eurjchem-1955	74	35	bonds	bond	NOUN
eurjchem-1955	74	36	.	.	PUNCT
eurjchem-1955	75	1	the	the	DET
eurjchem-1955	75	2	second	second	ADJ
eurjchem-1955	75	3	term	term	NOUN
eurjchem-1955	75	4	is	be	AUX
eurjchem-1955	75	5	a	a	DET
eurjchem-1955	75	6	torsional	torsional	ADJ
eurjchem-1955	75	7	energy	energy	NOUN
eurjchem-1955	75	8	contribution	contribution	NOUN
eurjchem-1955	75	9	from	from	ADP
eurjchem-1955	75	10	the	the	DET
eurjchem-1955	75	11	torsional	torsional	ADJ
eurjchem-1955	75	12	motion	motion	NOUN
eurjchem-1955	75	13	of	of	ADP
eurjchem-1955	75	14	the	the	DET
eurjchem-1955	75	15	atoms	atom	NOUN
eurjchem-1955	75	16	,	,	PUNCT
eurjchem-1955	75	17	parameterized	parameterized	ADJ
eurjchem-1955	75	18	based	base	VERB
eurjchem-1955	75	19	on	on	ADP
eurjchem-1955	75	20	the	the	DET
eurjchem-1955	75	21	types	type	NOUN
eurjchem-1955	75	22	of	of	ADP
eurjchem-1955	75	23	hybridization	hybridization	NOUN
eurjchem-1955	75	24	of	of	ADP
eurjchem-1955	75	25	the	the	DET
eurjchem-1955	75	26	bonded	bond	VERB
eurjchem-1955	75	27	atoms	atom	NOUN
eurjchem-1955	75	28	,	,	PUNCT
eurjchem-1955	75	29	and	and	CCONJ
eurjchem-1955	75	30	θ	θ	PROPN
eurjchem-1955	75	31	represents	represent	VERB
eurjchem-1955	75	32	the	the	DET
eurjchem-1955	75	33	torsional	torsional	ADJ
eurjchem-1955	75	34	angle	angle	NOUN
eurjchem-1955	75	35	.	.	PUNCT
eurjchem-1955	76	1	the	the	DET
eurjchem-1955	76	2	third	third	ADJ
eurjchem-1955	76	3	term	term	NOUN
eurjchem-1955	76	4	which	which	PRON
eurjchem-1955	76	5	is	be	AUX
eurjchem-1955	76	6	eclash	eclash	NOUN
eurjchem-1955	76	7	contributes	contribute	VERB
eurjchem-1955	76	8	a	a	DET
eurjchem-1955	76	9	penalty	penalty	NOUN
eurjchem-1955	76	10	of	of	ADP
eurjchem-1955	76	11	1000	1000	NUM
eurjchem-1955	76	12	as	as	ADV
eurjchem-1955	76	13	long	long	ADV
eurjchem-1955	76	14	as	as	SCONJ
eurjchem-1955	76	15	the	the	DET
eurjchem-1955	76	16	distance	distance	NOUN
eurjchem-1955	76	17	between	between	ADP
eurjchem-1955	76	18	two	two	NUM
eurjchem-1955	76	19	heavy	heavy	ADJ
eurjchem-1955	76	20	atoms	atom	NOUN
eurjchem-1955	76	21	is	be	AUX
eurjchem-1955	76	22	not	not	PART
eurjchem-1955	76	23	greater	great	ADJ
eurjchem-1955	76	24	than	than	ADP
eurjchem-1955	76	25	2.0	2.0	NUM
eurjchem-1955	76	26	å	å	NOUN
eurjchem-1955	76	27	.	.	PUNCT
eurjchem-1955	77	1	by	by	ADP
eurjchem-1955	77	2	implication	implication	NOUN
eurjchem-1955	77	3	,	,	PUNCT
eurjchem-1955	77	4	eclash	eclash	NOUN
eurjchem-1955	77	5	term	term	NOUN
eurjchem-1955	77	6	corrects	correct	NOUN
eurjchem-1955	77	7	ligand	ligand	PROPN
eurjchem-1955	77	8	conformation	conformation	NOUN
eurjchem-1955	77	9	that	that	PRON
eurjchem-1955	77	10	is	be	AUX
eurjchem-1955	77	11	infeasible	infeasible	ADJ
eurjchem-1955	77	12	.	.	PUNCT
eurjchem-1955	78	1	the	the	DET
eurjchem-1955	78	2	einter	einter	NOUN
eurjchem-1955	78	3	describes	describe	VERB
eurjchem-1955	78	4	the	the	DET
eurjchem-1955	78	5	ligand	ligand	ADJ
eurjchem-1955	78	6	-	-	PUNCT
eurjchem-1955	78	7	protein	protein	NOUN
eurjchem-1955	78	8	residual	residual	ADJ
eurjchem-1955	78	9	interaction	interaction	NOUN
eurjchem-1955	78	10	energy	energy	NOUN
eurjchem-1955	78	11	,	,	PUNCT
eurjchem-1955	78	12	defined	define	VERB
eurjchem-1955	78	13	as	as	ADP
eurjchem-1955	78	14	;	;	PUNCT
eurjchem-1955	78	15	(	(	PUNCT
eurjchem-1955	78	16	)	)	PUNCT
eurjchem-1955	78	17	i	i	PRON
eurjchem-1955	78	18	j	j	PROPN
eurjchem-1955	78	19	inter	inter	PROPN
eurjchem-1955	78	20	plp	plp	PROPN
eurjchem-1955	78	21	ij	ij	X
eurjchem-1955	78	22	2	2	NUM
eurjchem-1955	79	1	i	i	PRON
eurjchem-1955	79	2	ligandj	ligandj	NOUN
eurjchem-1955	79	3	ligand	ligand	VERB
eurjchem-1955	80	1	ij	ij	INTJ
eurjchem-1955	80	2	q	q	NOUN
eurjchem-1955	80	3	q	q	X
eurjchem-1955	80	4	e	e	X
eurjchem-1955	80	5	e	e	NOUN
eurjchem-1955	80	6	r	r	NOUN
eurjchem-1955	80	7	332.0	332.0	NUM
eurjchem-1955	80	8	4rm	4rm	NOUN
eurjchem-1955	80	9	m	m	VERB
eurjchem-1955	80	10			NOUN
eurjchem-1955	80	11			PROPN
eurjchem-1955	80	12	=	=	SYM
eurjchem-1955	81	1	+	+	ADJ
eurjchem-1955	81	2			ADJ
eurjchem-1955	81	3			PROPN
eurjchem-1955	81	4			ADJ
eurjchem-1955	81	5			ADJ
eurjchem-1955	81	6			PROPN
eurjchem-1955	81	7	∑	∑	PROPN
eurjchem-1955	81	8	∑	∑	PUNCT
eurjchem-1955	81	9	(	(	PUNCT
eurjchem-1955	81	10	3	3	NUM
eurjchem-1955	81	11	)	)	PUNCT
eurjchem-1955	81	12	where	where	SCONJ
eurjchem-1955	81	13	the	the	DET
eurjchem-1955	81	14	summation	summation	NOUN
eurjchem-1955	81	15	covers	cover	VERB
eurjchem-1955	81	16	all	all	DET
eurjchem-1955	81	17	heavy	heavy	ADJ
eurjchem-1955	81	18	atoms	atom	NOUN
eurjchem-1955	81	19	in	in	ADP
eurjchem-1955	81	20	the	the	DET
eurjchem-1955	81	21	active	active	ADJ
eurjchem-1955	81	22	ligand	ligand	NOUN
eurjchem-1955	81	23	and	and	CCONJ
eurjchem-1955	81	24	protein	protein	NOUN
eurjchem-1955	81	25	together	together	ADV
eurjchem-1955	81	26	with	with	ADP
eurjchem-1955	81	27	any	any	DET
eurjchem-1955	81	28	existing	exist	VERB
eurjchem-1955	81	29	cofactors	cofactor	NOUN
eurjchem-1955	81	30	,	,	PUNCT
eurjchem-1955	81	31	and	and	CCONJ
eurjchem-1955	81	32	displaceable	displaceable	ADJ
eurjchem-1955	81	33	water	water	NOUN
eurjchem-1955	81	34	molecules	molecule	NOUN
eurjchem-1955	81	35	if	if	SCONJ
eurjchem-1955	81	36	present	present	ADJ
eurjchem-1955	81	37	.	.	PUNCT
eurjchem-1955	82	1	the	the	DET
eurjchem-1955	82	2	second	second	ADJ
eurjchem-1955	82	3	term	term	NOUN
eurjchem-1955	82	4	is	be	AUX
eurjchem-1955	82	5	the	the	DET
eurjchem-1955	82	6	contribution	contribution	NOUN
eurjchem-1955	82	7	from	from	ADP
eurjchem-1955	82	8	the	the	DET
eurjchem-1955	82	9	electrostatic	electrostatic	ADJ
eurjchem-1955	82	10	interactions	interaction	NOUN
eurjchem-1955	82	11	among	among	ADP
eurjchem-1955	82	12	charged	charge	VERB
eurjchem-1955	82	13	atoms	atom	NOUN
eurjchem-1955	82	14	,	,	PUNCT
eurjchem-1955	82	15	which	which	PRON
eurjchem-1955	82	16	is	be	AUX
eurjchem-1955	82	17	a	a	DET
eurjchem-1955	82	18	coulombic	coulombic	ADJ
eurjchem-1955	82	19	potential	potential	NOUN
eurjchem-1955	82	20	with	with	ADP
eurjchem-1955	82	21	an	an	DET
eurjchem-1955	82	22	inverse	inverse	NOUN
eurjchem-1955	82	23	related	relate	VERB
eurjchem-1955	82	24	square	square	ADJ
eurjchem-1955	82	25	root	root	NOUN
eurjchem-1955	82	26	of	of	ADP
eurjchem-1955	82	27	distance	distance	NOUN
eurjchem-1955	82	28	between	between	ADP
eurjchem-1955	82	29	two	two	NUM
eurjchem-1955	82	30	atoms	atom	NOUN
eurjchem-1955	82	31	apart	apart	ADV
eurjchem-1955	82	32	.	.	PUNCT
eurjchem-1955	83	1	while	while	SCONJ
eurjchem-1955	83	2	the	the	DET
eurjchem-1955	83	3	numerical	numerical	ADJ
eurjchem-1955	83	4	score	score	NOUN
eurjchem-1955	83	5	of	of	ADP
eurjchem-1955	83	6	332.0	332.0	NUM
eurjchem-1955	83	7	in	in	ADP
eurjchem-1955	83	8	the	the	DET
eurjchem-1955	83	9	expression	expression	NOUN
eurjchem-1955	83	10	is	be	AUX
eurjchem-1955	83	11	a	a	DET
eurjchem-1955	83	12	constant	constant	ADJ
eurjchem-1955	83	13	which	which	PRON
eurjchem-1955	83	14	converts	convert	VERB
eurjchem-1955	83	15	the	the	DET
eurjchem-1955	83	16	units	unit	NOUN
eurjchem-1955	83	17	of	of	ADP
eurjchem-1955	83	18	the	the	DET
eurjchem-1955	83	19	electrostatic	electrostatic	ADJ
eurjchem-1955	83	20	energy	energy	NOUN
eurjchem-1955	83	21	to	to	ADP
eurjchem-1955	83	22	kcal	kcal	PROPN
eurjchem-1955	83	23	/	/	SYM
eurjchem-1955	83	24	mol	mol	PROPN
eurjchem-1955	83	25	.	.	PUNCT
eurjchem-1955	84	1	protein	protein	NOUN
eurjchem-1955	84	2	-	-	PUNCT
eurjchem-1955	84	3	ligand	ligand	ADJ
eurjchem-1955	84	4	ant	ant	ADJ
eurjchem-1955	84	5	system	system	NOUN
eurjchem-1955	84	6	(	(	PUNCT
eurjchem-1955	84	7	plants	plant	NOUN
eurjchem-1955	84	8	)	)	PUNCT
eurjchem-1955	84	9	scoring	scoring	NOUN
eurjchem-1955	84	10	function	function	NOUN
eurjchem-1955	84	11	is	be	AUX
eurjchem-1955	84	12	defined	define	VERB
eurjchem-1955	84	13	by	by	ADP
eurjchem-1955	84	14	:	:	PUNCT
eurjchem-1955	85	1	plantscore	plantscore	NOUN
eurjchem-1955	85	2	e	e	PROPN
eurjchem-1955	85	3	20plp	20plp	NOUN
eurjchem-1955	85	4	clash	clash	PROPN
eurjchem-1955	85	5	tors	tors	PROPN
eurjchem-1955	85	6	csitef	csitef	PROPN
eurjchem-1955	85	7	f	f	PROPN
eurjchem-1955	85	8	f	f	PROPN
eurjchem-1955	85	9	f=	f=	PROPN
eurjchem-1955	86	1	+	+	X
eurjchem-1955	86	2	+	+	PUNCT
eurjchem-1955	86	3	+	+	NUM
eurjchem-1955	86	4	−	−	PROPN
eurjchem-1955	86	5	(	(	PUNCT
eurjchem-1955	86	6	4	4	NUM
eurjchem-1955	86	7	)	)	PUNCT
eurjchem-1955	86	8	where	where	SCONJ
eurjchem-1955	86	9	the	the	DET
eurjchem-1955	86	10	first	first	ADJ
eurjchem-1955	86	11	terms	term	NOUN
eurjchem-1955	86	12	are	be	AUX
eurjchem-1955	86	13	the	the	DET
eurjchem-1955	86	14	plp	plp	ADJ
eurjchem-1955	86	15	potential	potential	NOUN
eurjchem-1955	86	16	,	,	PUNCT
eurjchem-1955	86	17	and	and	CCONJ
eurjchem-1955	86	18	it	it	PRON
eurjchem-1955	86	19	is	be	AUX
eurjchem-1955	86	20	similar	similar	ADJ
eurjchem-1955	86	21	to	to	ADP
eurjchem-1955	86	22	the	the	DET
eurjchem-1955	86	23	parametrized	parametrized	ADJ
eurjchem-1955	86	24	plp	plp	NOUN
eurjchem-1955	86	25	potential	potential	NOUN
eurjchem-1955	86	26	in	in	ADP
eurjchem-1955	86	27	the	the	DET
eurjchem-1955	86	28	moldock	moldock	NOUN
eurjchem-1955	86	29	scoring	scoring	NOUN
eurjchem-1955	86	30	function	function	NOUN
eurjchem-1955	86	31	.	.	PUNCT
eurjchem-1955	87	1	however	however	ADV
eurjchem-1955	87	2	,	,	PUNCT
eurjchem-1955	87	3	plp	plp	VERB
eurjchem-1955	87	4	potential	potential	NOUN
eurjchem-1955	87	5	in	in	ADP
eurjchem-1955	87	6	plants	plant	NOUN
eurjchem-1955	87	7	scores	score	NOUN
eurjchem-1955	87	8	considered	consider	VERB
eurjchem-1955	87	9	more	more	ADJ
eurjchem-1955	87	10	interaction	interaction	NOUN
eurjchem-1955	87	11	types	type	NOUN
eurjchem-1955	87	12	including	include	VERB
eurjchem-1955	87	13	nonpolar	nonpolar	ADJ
eurjchem-1955	87	14	,	,	PUNCT
eurjchem-1955	87	15	repulsive	repulsive	ADJ
eurjchem-1955	87	16	,	,	PUNCT
eurjchem-1955	87	17	hydrogen	hydrogen	NOUN
eurjchem-1955	87	18	bonding	bonding	NOUN
eurjchem-1955	87	19	and	and	CCONJ
eurjchem-1955	87	20	so	so	ADV
eurjchem-1955	87	21	on	on	ADV
eurjchem-1955	87	22	.	.	PUNCT
eurjchem-1955	88	1	ftors	ftor	NOUN
eurjchem-1955	88	2	and	and	CCONJ
eurjchem-1955	88	3	fclash	fclash	NOUN
eurjchem-1955	88	4	are	be	AUX
eurjchem-1955	88	5	torsional	torsional	ADJ
eurjchem-1955	88	6	potentials	potential	NOUN
eurjchem-1955	88	7	for	for	ADP
eurjchem-1955	88	8	the	the	DET
eurjchem-1955	88	9	flexible	flexible	ADJ
eurjchem-1955	88	10	bonds	bond	NOUN
eurjchem-1955	88	11	and	and	CCONJ
eurjchem-1955	88	12	internal	internal	ADJ
eurjchem-1955	88	13	ligand	ligand	ADJ
eurjchem-1955	88	14	clashes	clash	NOUN
eurjchem-1955	88	15	respectively	respectively	ADV
eurjchem-1955	88	16	[	[	X
eurjchem-1955	88	17	19	19	NUM
eurjchem-1955	88	18	]	]	PUNCT
eurjchem-1955	88	19	.	.	PUNCT
eurjchem-1955	89	1	the	the	DET
eurjchem-1955	89	2	fcsite	fcsite	ADJ
eurjchem-1955	89	3	term	term	NOUN
eurjchem-1955	89	4	depicts	depict	VERB
eurjchem-1955	89	5	a	a	DET
eurjchem-1955	89	6	penalty	penalty	NOUN
eurjchem-1955	89	7	computed	compute	VERB
eurjchem-1955	89	8	provided	provide	VERB
eurjchem-1955	89	9	that	that	SCONJ
eurjchem-1955	89	10	a	a	DET
eurjchem-1955	89	11	pose	pose	NOUN
eurjchem-1955	89	12	(	(	PUNCT
eurjchem-1955	89	13	ligand	ligand	NOUN
eurjchem-1955	89	14	conformation	conformation	NOUN
eurjchem-1955	89	15	)	)	PUNCT
eurjchem-1955	89	16	is	be	AUX
eurjchem-1955	89	17	situated	situate	VERB
eurjchem-1955	89	18	outside	outside	ADP
eurjchem-1955	89	19	the	the	DET
eurjchem-1955	89	20	binding	bind	VERB
eurjchem-1955	89	21	site	site	NOUN
eurjchem-1955	89	22	.	.	PUNCT
eurjchem-1955	90	1	while	while	SCONJ
eurjchem-1955	90	2	the	the	DET
eurjchem-1955	90	3	-20	-20	NUM
eurjchem-1955	90	4	is	be	AUX
eurjchem-1955	90	5	energy	energy	NOUN
eurjchem-1955	90	6	constant	constant	ADJ
eurjchem-1955	90	7	for	for	ADP
eurjchem-1955	90	8	the	the	DET
eurjchem-1955	90	9	protein	protein	NOUN
eurjchem-1955	90	10	-	-	PUNCT
eurjchem-1955	90	11	ligand	ligand	ADJ
eurjchem-1955	90	12	ant	ant	ADJ
eurjchem-1955	90	13	system	system	NOUN
eurjchem-1955	90	14	(	(	PUNCT
eurjchem-1955	90	15	plants	plant	NOUN
eurjchem-1955	90	16	)	)	PUNCT
eurjchem-1955	90	17	docking	dock	VERB
eurjchem-1955	90	18	search	search	NOUN
eurjchem-1955	90	19	algorithm	algorithm	NOUN
eurjchem-1955	90	20	.	.	PUNCT
eurjchem-1955	91	1	the	the	DET
eurjchem-1955	91	2	moldock	moldock	PROPN
eurjchem-1955	91	3	simplex	simplex	NOUN
eurjchem-1955	91	4	evolution	evolution	NOUN
eurjchem-1955	91	5	(	(	PUNCT
eurjchem-1955	91	6	moldock	moldock	NOUN
eurjchem-1955	91	7	se	se	ADJ
eurjchem-1955	91	8	)	)	PUNCT
eurjchem-1955	91	9	docking	dock	VERB
eurjchem-1955	91	10	algorithm	algorithm	NOUN
eurjchem-1955	91	11	search	search	NOUN
eurjchem-1955	91	12	was	be	AUX
eurjchem-1955	91	13	also	also	ADV
eurjchem-1955	91	14	employed	employ	VERB
eurjchem-1955	91	15	[	[	PUNCT
eurjchem-1955	91	16	9	9	NUM
eurjchem-1955	91	17	]	]	PUNCT
eurjchem-1955	91	18	,	,	PUNCT
eurjchem-1955	91	19	which	which	PRON
eurjchem-1955	91	20	runs	run	VERB
eurjchem-1955	91	21	10	10	NUM
eurjchem-1955	91	22	times	time	NOUN
eurjchem-1955	91	23	for	for	ADP
eurjchem-1955	91	24	each	each	DET
eurjchem-1955	91	25	ligand	ligand	NOUN
eurjchem-1955	91	26	with	with	ADP
eurjchem-1955	91	27	1500	1500	NUM
eurjchem-1955	91	28	iterations	iteration	NOUN
eurjchem-1955	91	29	and	and	CCONJ
eurjchem-1955	91	30	population	population	NOUN
eurjchem-1955	91	31	size	size	NOUN
eurjchem-1955	91	32	of	of	ADP
eurjchem-1955	91	33	50	50	NUM
eurjchem-1955	91	34	[	[	X
eurjchem-1955	91	35	22	22	NUM
eurjchem-1955	91	36	]	]	PUNCT
eurjchem-1955	91	37	.	.	PUNCT
eurjchem-1955	92	1	furthermore	furthermore	ADV
eurjchem-1955	92	2	,	,	PUNCT
eurjchem-1955	92	3	the	the	DET
eurjchem-1955	92	4	docking	docking	NOUN
eurjchem-1955	92	5	operation	operation	NOUN
eurjchem-1955	92	6	converged	converge	VERB
eurjchem-1955	92	7	after	after	ADP
eurjchem-1955	92	8	1500	1500	NUM
eurjchem-1955	92	9	iterations	iteration	NOUN
eurjchem-1955	92	10	with	with	ADP
eurjchem-1955	92	11	the	the	DET
eurjchem-1955	92	12	least	least	ADJ
eurjchem-1955	92	13	minimized	minimized	ADJ
eurjchem-1955	92	14	energy	energy	NOUN
eurjchem-1955	92	15	of	of	ADP
eurjchem-1955	92	16	poses	pose	NOUN
eurjchem-1955	92	17	[	[	X
eurjchem-1955	92	18	23	23	NUM
eurjchem-1955	92	19	]	]	PUNCT
eurjchem-1955	92	20	.	.	PUNCT
eurjchem-1955	93	1	the	the	DET
eurjchem-1955	93	2	most	most	ADV
eurjchem-1955	93	3	stable	stable	ADJ
eurjchem-1955	93	4	complexes	complex	NOUN
eurjchem-1955	93	5	from	from	ADP
eurjchem-1955	93	6	the	the	DET
eurjchem-1955	93	7	docking	docking	NOUN
eurjchem-1955	93	8	results	result	NOUN
eurjchem-1955	93	9	were	be	AUX
eurjchem-1955	93	10	exported	export	VERB
eurjchem-1955	93	11	to	to	ADP
eurjchem-1955	93	12	discovery	discovery	NOUN
eurjchem-1955	93	13	studio	studio	NOUN
eurjchem-1955	93	14	so	so	SCONJ
eurjchem-1955	93	15	as	as	SCONJ
eurjchem-1955	93	16	to	to	PART
eurjchem-1955	93	17	visualize	visualize	VERB
eurjchem-1955	93	18	major	major	ADJ
eurjchem-1955	93	19	residual	residual	ADJ
eurjchem-1955	93	20	interactions	interaction	NOUN
eurjchem-1955	93	21	of	of	ADP
eurjchem-1955	93	22	the	the	DET
eurjchem-1955	93	23	ligands	ligand	NOUN
eurjchem-1955	93	24	with	with	ADP
eurjchem-1955	93	25	the	the	DET
eurjchem-1955	93	26	active	active	ADJ
eurjchem-1955	93	27	sites	site	NOUN
eurjchem-1955	93	28	of	of	ADP
eurjchem-1955	93	29	the	the	DET
eurjchem-1955	93	30	protein	protein	NOUN
eurjchem-1955	93	31	.	.	PUNCT
eurjchem-1955	94	1	3	3	X
eurjchem-1955	94	2	.	.	NOUN
eurjchem-1955	94	3	results	result	NOUN
eurjchem-1955	94	4	and	and	CCONJ
eurjchem-1955	94	5	discussions	discussion	NOUN
eurjchem-1955	94	6	virtual	virtual	ADJ
eurjchem-1955	94	7	docking	docking	NOUN
eurjchem-1955	94	8	simulation	simulation	NOUN
eurjchem-1955	94	9	is	be	AUX
eurjchem-1955	94	10	an	an	DET
eurjchem-1955	94	11	optimization	optimization	NOUN
eurjchem-1955	94	12	process	process	NOUN
eurjchem-1955	94	13	,	,	PUNCT
eurjchem-1955	94	14	where	where	SCONJ
eurjchem-1955	94	15	the	the	DET
eurjchem-1955	94	16	sole	sole	ADJ
eurjchem-1955	94	17	objective	objective	NOUN
eurjchem-1955	94	18	is	be	AUX
eurjchem-1955	94	19	to	to	PART
eurjchem-1955	94	20	explore	explore	VERB
eurjchem-1955	94	21	the	the	DET
eurjchem-1955	94	22	most	most	ADV
eurjchem-1955	94	23	stable	stable	ADJ
eurjchem-1955	94	24	ligand	ligand	NOUN
eurjchem-1955	94	25	binding	binding	NOUN
eurjchem-1955	94	26	pose	pose	VERB
eurjchem-1955	94	27	with	with	ADP
eurjchem-1955	94	28	a	a	DET
eurjchem-1955	94	29	target	target	NOUN
eurjchem-1955	94	30	(	(	PUNCT
eurjchem-1955	94	31	receptor	receptor	NOUN
eurjchem-1955	94	32	)	)	PUNCT
eurjchem-1955	94	33	.	.	PUNCT
eurjchem-1955	95	1	the	the	DET
eurjchem-1955	95	2	technique	technique	NOUN
eurjchem-1955	95	3	encompasses	encompass	VERB
eurjchem-1955	95	4	sampling	sample	VERB
eurjchem-1955	95	5	the	the	DET
eurjchem-1955	95	6	3dcoordinate	3dcoordinate	NUM
eurjchem-1955	95	7	space	space	NOUN
eurjchem-1955	95	8	of	of	ADP
eurjchem-1955	95	9	the	the	DET
eurjchem-1955	95	10	binding	bind	VERB
eurjchem-1955	95	11	site	site	NOUN
eurjchem-1955	95	12	in	in	ADP
eurjchem-1955	95	13	the	the	DET
eurjchem-1955	95	14	target	target	NOUN
eurjchem-1955	95	15	and	and	CCONJ
eurjchem-1955	95	16	computing	compute	VERB
eurjchem-1955	95	17	the	the	DET
eurjchem-1955	95	18	binding	bind	VERB
eurjchem-1955	95	19	affinity	affinity	NOUN
eurjchem-1955	95	20	of	of	ADP
eurjchem-1955	95	21	each	each	DET
eurjchem-1955	95	22	possible	possible	ADJ
eurjchem-1955	95	23	orientation	orientation	NOUN
eurjchem-1955	95	24	of	of	ADP
eurjchem-1955	95	25	the	the	DET
eurjchem-1955	95	26	ligand	ligand	NOUN
eurjchem-1955	95	27	within	within	ADP
eurjchem-1955	95	28	the	the	DET
eurjchem-1955	95	29	active	active	ADJ
eurjchem-1955	95	30	sites	site	NOUN
eurjchem-1955	95	31	which	which	PRON
eurjchem-1955	95	32	form	form	VERB
eurjchem-1955	95	33	the	the	DET
eurjchem-1955	95	34	complex	complex	NOUN
eurjchem-1955	95	35	.	.	PUNCT
eurjchem-1955	96	1	as	as	SCONJ
eurjchem-1955	96	2	such	such	ADJ
eurjchem-1955	96	3	,	,	PUNCT
eurjchem-1955	96	4	the	the	DET
eurjchem-1955	96	5	highest	high	ADJ
eurjchem-1955	96	6	binding	bind	VERB
eurjchem-1955	96	7	score	score	NOUN
eurjchem-1955	96	8	corresponds	correspond	NOUN
eurjchem-1955	96	9	to	to	ADP
eurjchem-1955	96	10	the	the	DET
eurjchem-1955	96	11	most	most	ADV
eurjchem-1955	96	12	stable	stable	ADJ
eurjchem-1955	96	13	complex	complex	NOUN
eurjchem-1955	96	14	.	.	PUNCT
eurjchem-1955	97	1	molecular	molecular	ADJ
eurjchem-1955	97	2	docking	docking	NOUN
eurjchem-1955	97	3	results	result	NOUN
eurjchem-1955	97	4	in	in	ADP
eurjchem-1955	97	5	this	this	DET
eurjchem-1955	97	6	study	study	NOUN
eurjchem-1955	97	7	were	be	AUX
eurjchem-1955	97	8	generated	generate	VERB
eurjchem-1955	97	9	using	use	VERB
eurjchem-1955	97	10	molegro	molegro	ADJ
eurjchem-1955	97	11	virtual	virtual	ADJ
eurjchem-1955	97	12	docker	docker	PROPN
eurjchem-1955	97	13	v.	v.	ADP
eurjchem-1955	97	14	6.0	6.0	NUM
eurjchem-1955	98	1	[	[	NOUN
eurjchem-1955	98	2	23	23	NUM
eurjchem-1955	98	3	]	]	PUNCT
eurjchem-1955	98	4	as	as	SCONJ
eurjchem-1955	98	5	stated	state	VERB
eurjchem-1955	98	6	earlier	early	ADV
eurjchem-1955	98	7	.	.	PUNCT
eurjchem-1955	99	1	table	table	NOUN
eurjchem-1955	99	2	2	2	NUM
eurjchem-1955	99	3	shows	show	VERB
eurjchem-1955	99	4	docking	dock	VERB
eurjchem-1955	99	5	energy	energy	NOUN
eurjchem-1955	99	6	and	and	CCONJ
eurjchem-1955	99	7	the	the	DET
eurjchem-1955	99	8	re	re	ADJ
eurjchem-1955	99	9	-	-	NOUN
eurjchem-1955	99	10	rank	rank	ADJ
eurjchem-1955	99	11	score	score	NOUN
eurjchem-1955	99	12	of	of	ADP
eurjchem-1955	99	13	each	each	DET
eurjchem-1955	99	14	scoring	scoring	NOUN
eurjchem-1955	99	15	function	function	NOUN
eurjchem-1955	99	16	for	for	ADP
eurjchem-1955	99	17	the	the	DET
eurjchem-1955	99	18	best	good	ADJ
eurjchem-1955	99	19	pose	pose	NOUN
eurjchem-1955	99	20	in	in	ADP
eurjchem-1955	99	21	the	the	DET
eurjchem-1955	99	22	ligandtarget	ligandtarget	NOUN
eurjchem-1955	99	23	complex	complex	NOUN
eurjchem-1955	99	24	.	.	PUNCT
eurjchem-1955	100	1	the	the	DET
eurjchem-1955	100	2	binding	bind	VERB
eurjchem-1955	100	3	scores	score	NOUN
eurjchem-1955	100	4	of	of	ADP
eurjchem-1955	100	5	the	the	DET
eurjchem-1955	100	6	complexes	complex	NOUN
eurjchem-1955	100	7	range	range	VERB
eurjchem-1955	100	8	from	from	ADP
eurjchem-1955	100	9	-103	-103	PROPN
eurjchem-1955	100	10	to	to	ADP
eurjchem-1955	100	11	-140	-140	PROPN
eurjchem-1955	100	12	kcal	kcal	NOUN
eurjchem-1955	100	13	/	/	SYM
eurjchem-1955	100	14	mol	mol	NOUN
eurjchem-1955	100	15	based	base	VERB
eurjchem-1955	100	16	on	on	ADP
eurjchem-1955	100	17	the	the	DET
eurjchem-1955	100	18	moldock	moldock	NOUN
eurjchem-1955	100	19	score	score	NOUN
eurjchem-1955	100	20	,	,	PUNCT
eurjchem-1955	100	21	and	and	CCONJ
eurjchem-1955	100	22	plants	plant	VERB
eurjchem-1955	100	23	scores	score	NOUN
eurjchem-1955	100	24	range	range	VERB
eurjchem-1955	100	25	from	from	ADP
eurjchem-1955	100	26	-63	-63	NOUN
eurjchem-1955	100	27	to	to	ADP
eurjchem-1955	100	28	78	78	NUM
eurjchem-1955	100	29	kcal	kcal	NOUN
eurjchem-1955	100	30	/	/	SYM
eurjchem-1955	100	31	mol	mol	PROPN
eurjchem-1955	100	32	.	.	PUNCT
eurjchem-1955	101	1	thus	thus	ADV
eurjchem-1955	101	2	,	,	PUNCT
eurjchem-1955	101	3	compound	compound	NOUN
eurjchem-1955	101	4	5	5	NUM
eurjchem-1955	101	5	,	,	PUNCT
eurjchem-1955	101	6	24	24	NUM
eurjchem-1955	101	7	,	,	PUNCT
eurjchem-1955	101	8	25	25	NUM
eurjchem-1955	101	9	,	,	PUNCT
eurjchem-1955	101	10	33	33	NUM
eurjchem-1955	101	11	,	,	PUNCT
eurjchem-1955	101	12	and	and	CCONJ
eurjchem-1955	101	13	35	35	NUM
eurjchem-1955	101	14	were	be	AUX
eurjchem-1955	101	15	selected	select	VERB
eurjchem-1955	101	16	as	as	ADP
eurjchem-1955	101	17	the	the	DET
eurjchem-1955	101	18	best	good	ADJ
eurjchem-1955	101	19	inhibitors	inhibitor	NOUN
eurjchem-1955	101	20	when	when	SCONJ
eurjchem-1955	101	21	they	they	PRON
eurjchem-1955	101	22	lock	lock	VERB
eurjchem-1955	101	23	with	with	ADP
eurjchem-1955	101	24	the	the	DET
eurjchem-1955	101	25	target	target	NOUN
eurjchem-1955	101	26	(	(	PUNCT
eurjchem-1955	101	27	mtb	mtb	X
eurjchem-1955	101	28	dna	dna	PROPN
eurjchem-1955	101	29	gyrase	gyrase	NOUN
eurjchem-1955	101	30	)	)	PUNCT
eurjchem-1955	101	31	due	due	ADP
eurjchem-1955	101	32	to	to	ADP
eurjchem-1955	101	33	their	their	PRON
eurjchem-1955	101	34	higher	high	ADJ
eurjchem-1955	101	35	binding	bind	VERB
eurjchem-1955	101	36	scores	score	NOUN
eurjchem-1955	101	37	from	from	ADP
eurjchem-1955	101	38	both	both	CCONJ
eurjchem-1955	101	39	moldock	moldock	NOUN
eurjchem-1955	101	40	and	and	CCONJ
eurjchem-1955	101	41	plants	plant	VERB
eurjchem-1955	101	42	scoring	scoring	NOUN
eurjchem-1955	101	43	functions	function	NOUN
eurjchem-1955	101	44	.	.	PUNCT
eurjchem-1955	102	1	however	however	ADV
eurjchem-1955	102	2	,	,	PUNCT
eurjchem-1955	102	3	the	the	DET
eurjchem-1955	102	4	entire	entire	ADJ
eurjchem-1955	102	5	35	35	NUM
eurjchem-1955	102	6	compounds	compound	NOUN
eurjchem-1955	102	7	have	have	VERB
eurjchem-1955	102	8	moldock	moldock	NOUN
eurjchem-1955	102	9	score	score	NOUN
eurjchem-1955	102	10	greater	great	ADJ
eurjchem-1955	102	11	than	than	ADP
eurjchem-1955	102	12	-90	-90	PUNCT
eurjchem-1955	102	13	kcal	kcal	NOUN
eurjchem-1955	102	14	/	/	SYM
eurjchem-1955	102	15	mol	mol	NUM
eurjchem-1955	102	16	which	which	PRON
eurjchem-1955	102	17	indicates	indicate	VERB
eurjchem-1955	102	18	that	that	SCONJ
eurjchem-1955	102	19	the	the	DET
eurjchem-1955	102	20	inhibitors	inhibitor	NOUN
eurjchem-1955	102	21	can	can	AUX
eurjchem-1955	102	22	bind	bind	VERB
eurjchem-1955	102	23	target	target	NOUN
eurjchem-1955	102	24	efficiently	efficiently	ADV
eurjchem-1955	102	25	.	.	PUNCT
eurjchem-1955	103	1	compound	compound	NOUN
eurjchem-1955	103	2	5	5	NUM
eurjchem-1955	103	3	has	have	VERB
eurjchem-1955	103	4	the	the	DET
eurjchem-1955	103	5	highest	high	ADJ
eurjchem-1955	103	6	h	h	NOUN
eurjchem-1955	103	7	-	-	PUNCT
eurjchem-1955	103	8	bond	bond	NOUN
eurjchem-1955	103	9	energy	energy	NOUN
eurjchem-1955	103	10	of	of	ADP
eurjchem-1955	103	11	-5.144	-5.144	PROPN
eurjchem-1955	103	12	kcal	kcal	PROPN
eurjchem-1955	103	13	/	/	SYM
eurjchem-1955	103	14	mol	mol	NOUN
eurjchem-1955	103	15	which	which	PRON
eurjchem-1955	103	16	formed	form	VERB
eurjchem-1955	103	17	three	three	NUM
eurjchem-1955	103	18	major	major	ADJ
eurjchem-1955	103	19	h	h	NOUN
eurjchem-1955	103	20	-	-	PUNCT
eurjchem-1955	103	21	bond	bond	NOUN
eurjchem-1955	103	22	interactions	interaction	NOUN
eurjchem-1955	103	23	with	with	ADP
eurjchem-1955	103	24	different	different	ADJ
eurjchem-1955	103	25	amino	amino	NOUN
eurjchem-1955	103	26	acid	acid	NOUN
eurjchem-1955	103	27	residues	residue	NOUN
eurjchem-1955	103	28	,	,	PUNCT
eurjchem-1955	103	29	wherewith	wherewith	ADV
eurjchem-1955	103	30	-nh	-nh	ADP
eurjchem-1955	103	31	interact	interact	VERB
eurjchem-1955	103	32	with	with	ADP
eurjchem-1955	103	33	ala	ala	PROPN
eurjchem-1955	103	34	531	531	NUM
eurjchem-1955	103	35	at	at	ADP
eurjchem-1955	103	36	distance	distance	NOUN
eurjchem-1955	103	37	of	of	ADP
eurjchem-1955	103	38	2.1	2.1	NUM
eurjchem-1955	103	39	å	å	NOUN
eurjchem-1955	103	40	,	,	PUNCT
eurjchem-1955	103	41	oxygen	oxygen	NOUN
eurjchem-1955	103	42	of	of	ADP
eurjchem-1955	103	43	bromobenzene	bromobenzene	NOUN
eurjchem-1955	103	44	moiety	moiety	PROPN
eurjchem-1955	103	45	interact	interact	VERB
eurjchem-1955	103	46	with	with	ADP
eurjchem-1955	103	47	ala	ala	PROPN
eurjchem-1955	103	48	533	533	NUM
eurjchem-1955	103	49	(	(	PUNCT
eurjchem-1955	103	50	1.91	1.91	NUM
eurjchem-1955	103	51	å	å	NOUN
eurjchem-1955	103	52	)	)	PUNCT
eurjchem-1955	103	53	,	,	PUNCT
eurjchem-1955	103	54	and	and	CCONJ
eurjchem-1955	103	55	oxygen	oxygen	NOUN
eurjchem-1955	103	56	from	from	ADP
eurjchem-1955	103	57	-och3	-och3	PROPN
eurjchem-1955	103	58	attached	attach	VERB
eurjchem-1955	103	59	to	to	ADP
eurjchem-1955	103	60	benzene	benzene	NOUN
eurjchem-1955	103	61	ring	ring	NOUN
eurjchem-1955	103	62	from	from	ADP
eurjchem-1955	103	63	the	the	DET
eurjchem-1955	103	64	imidazo[1,2	imidazo[1,2	NOUN
eurjchem-1955	103	65	-	-	PUNCT
eurjchem-1955	103	66	a	a	NOUN
eurjchem-1955	103	67	]	]	X
eurjchem-1955	103	68	pyridine	pyridine	NOUN
eurjchem-1955	103	69	formed	form	VERB
eurjchem-1955	103	70	h	h	NOUN
eurjchem-1955	103	71	-	-	PUNCT
eurjchem-1955	103	72	bond	bond	NOUN
eurjchem-1955	103	73	interaction	interaction	NOUN
eurjchem-1955	103	74	with	with	ADP
eurjchem-1955	103	75	gln	gln	PROPN
eurjchem-1955	103	76	538	538	NUM
eurjchem-1955	103	77	at	at	ADP
eurjchem-1955	103	78	bond	bond	NOUN
eurjchem-1955	103	79	distance	distance	NOUN
eurjchem-1955	103	80	of	of	ADP
eurjchem-1955	103	81	2.31	2.31	NUM
eurjchem-1955	103	82	å	å	NOUN
eurjchem-1955	103	83	.	.	PUNCT
eurjchem-1955	104	1	also	also	ADV
eurjchem-1955	104	2	,	,	PUNCT
eurjchem-1955	104	3	the	the	DET
eurjchem-1955	104	4	bromobenzene	bromobenzene	NOUN
eurjchem-1955	104	5	moiety	moiety	NOUN
eurjchem-1955	104	6	formed	form	VERB
eurjchem-1955	104	7	five	five	NUM
eurjchem-1955	104	8	hydrophobic	hydrophobic	NOUN
eurjchem-1955	104	9	interactions	interaction	NOUN
eurjchem-1955	104	10	with	with	ADP
eurjchem-1955	104	11	pro	pro	ADJ
eurjchem-1955	104	12	566	566	NUM
eurjchem-1955	104	13	,	,	PUNCT
eurjchem-1955	104	14	leu	leu	PROPN
eurjchem-1955	104	15	613	613	NUM
eurjchem-1955	104	16	,	,	PUNCT
eurjchem-1955	104	17	met	meet	VERB
eurjchem-1955	104	18	616	616	NUM
eurjchem-1955	104	19	,	,	PUNCT
eurjchem-1955	104	20	met	meet	VERB
eurjchem-1955	104	21	616	616	NUM
eurjchem-1955	104	22	,	,	PUNCT
eurjchem-1955	104	23	and	and	CCONJ
eurjchem-1955	104	24	try	try	VERB
eurjchem-1955	104	25	610	610	NUM
eurjchem-1955	104	26	at	at	ADP
eurjchem-1955	104	27	different	different	ADJ
eurjchem-1955	104	28	bond	bond	NOUN
eurjchem-1955	104	29	distances	distance	NOUN
eurjchem-1955	104	30	of	of	ADP
eurjchem-1955	104	31	4.04	4.04	NUM
eurjchem-1955	104	32	,	,	PUNCT
eurjchem-1955	104	33	5.11	5.11	NUM
eurjchem-1955	104	34	,	,	PUNCT
eurjchem-1955	104	35	5.15	5.15	NUM
eurjchem-1955	104	36	,	,	PUNCT
eurjchem-1955	104	37	3.69	3.69	NUM
eurjchem-1955	104	38	,	,	PUNCT
eurjchem-1955	104	39	and	and	CCONJ
eurjchem-1955	104	40	3.87	3.87	NUM
eurjchem-1955	104	41	å	å	NOUN
eurjchem-1955	104	42	,	,	PUNCT
eurjchem-1955	104	43	respectively	respectively	ADV
eurjchem-1955	104	44	,	,	PUNCT
eurjchem-1955	104	45	while	while	SCONJ
eurjchem-1955	104	46	the	the	DET
eurjchem-1955	104	47	imidazo[1,2	imidazo[1,2	NOUN
eurjchem-1955	104	48	-	-	PUNCT
eurjchem-1955	104	49	a	a	NOUN
eurjchem-1955	104	50	]	]	X
eurjchem-1955	104	51	pyridine	pyridine	ADJ
eurjchem-1955	104	52	forms	form	NOUN
eurjchem-1955	104	53	four	four	NUM
eurjchem-1955	104	54	hydrophobic	hydrophobic	NOUN
eurjchem-1955	104	55	interactions	interaction	NOUN
eurjchem-1955	104	56	with	with	ADP
eurjchem-1955	104	57	only	only	ADV
eurjchem-1955	104	58	two	two	NUM
eurjchem-1955	104	59	amino	amino	NOUN
eurjchem-1955	104	60	acid	acid	NOUN
eurjchem-1955	104	61	residues	residue	NOUN
eurjchem-1955	104	62	of	of	ADP
eurjchem-1955	104	63	ala	ala	PROPN
eurjchem-1955	104	64	533	533	NUM
eurjchem-1955	104	65	and	and	CCONJ
eurjchem-1955	104	66	ala	ala	PROPN
eurjchem-1955	104	67	531	531	NUM
eurjchem-1955	104	68	.	.	PUNCT
eurjchem-1955	105	1	the	the	DET
eurjchem-1955	105	2	major	major	ADJ
eurjchem-1955	105	3	interaction	interaction	NOUN
eurjchem-1955	105	4	types	type	NOUN
eurjchem-1955	105	5	of	of	ADP
eurjchem-1955	105	6	compound	compound	NOUN
eurjchem-1955	105	7	5	5	NUM
eurjchem-1955	105	8	with	with	ADP
eurjchem-1955	105	9	the	the	DET
eurjchem-1955	105	10	binding	bind	VERB
eurjchem-1955	105	11	pockets	pocket	NOUN
eurjchem-1955	105	12	of	of	ADP
eurjchem-1955	105	13	the	the	DET
eurjchem-1955	105	14	target	target	NOUN
eurjchem-1955	105	15	are	be	AUX
eurjchem-1955	105	16	visualized	visualize	VERB
eurjchem-1955	105	17	using	use	VERB
eurjchem-1955	105	18	the	the	DET
eurjchem-1955	105	19	discovery	discovery	NOUN
eurjchem-1955	105	20	studio	studio	NOUN
eurjchem-1955	105	21	and	and	CCONJ
eurjchem-1955	105	22	molegro	molegro	ADJ
eurjchem-1955	105	23	virtual	virtual	ADJ
eurjchem-1955	105	24	viewer	viewer	NOUN
eurjchem-1955	105	25	respectively	respectively	ADV
eurjchem-1955	105	26	as	as	SCONJ
eurjchem-1955	105	27	shown	show	VERB
eurjchem-1955	105	28	in	in	ADP
eurjchem-1955	105	29	figure	figure	NOUN
eurjchem-1955	105	30	1a	1a	PROPN
eurjchem-1955	105	31	-	-	PUNCT
eurjchem-1955	105	32	c.	c.	NOUN
eurjchem-1955	105	33	compound	compound	NOUN
eurjchem-1955	105	34	24	24	NUM
eurjchem-1955	105	35	with	with	ADP
eurjchem-1955	105	36	h	h	NOUN
eurjchem-1955	105	37	-	-	PUNCT
eurjchem-1955	105	38	bond	bond	NOUN
eurjchem-1955	105	39	energy	energy	NOUN
eurjchem-1955	105	40	of	of	ADP
eurjchem-1955	105	41	-1.6102	-1.6102	X
eurjchem-1955	105	42	kcal	kcal	ADJ
eurjchem-1955	105	43	/	/	SYM
eurjchem-1955	105	44	mol	mol	PROPN
eurjchem-1955	105	45	formed	form	VERB
eurjchem-1955	105	46	two	two	NUM
eurjchem-1955	105	47	major	major	ADJ
eurjchem-1955	105	48	h	h	NOUN
eurjchem-1955	105	49	-	-	PUNCT
eurjchem-1955	105	50	bond	bond	NOUN
eurjchem-1955	105	51	interactions	interaction	NOUN
eurjchem-1955	105	52	,	,	PUNCT
eurjchem-1955	105	53	in	in	ADP
eurjchem-1955	105	54	which	which	PRON
eurjchem-1955	105	55	the	the	DET
eurjchem-1955	105	56	oxygen	oxygen	NOUN
eurjchem-1955	105	57	of	of	ADP
eurjchem-1955	105	58	carbonyl	carbonyl	NOUN
eurjchem-1955	105	59	(	(	PUNCT
eurjchem-1955	105	60	-co	-co	NOUN
eurjchem-1955	105	61	)	)	PUNCT
eurjchem-1955	105	62	attached	attach	VERB
eurjchem-1955	105	63	to	to	ADP
eurjchem-1955	105	64	imidazo[1,2	imidazo[1,2	NOUN
eurjchem-1955	105	65	-	-	PUNCT
eurjchem-1955	105	66	a	a	NOUN
eurjchem-1955	105	67	]	]	X
eurjchem-1955	105	68	pyridine	pyridine	ADJ
eurjchem-1955	105	69	interact	interact	NOUN
eurjchem-1955	105	70	with	with	ADP
eurjchem-1955	105	71	two	two	NUM
eurjchem-1955	105	72	different	different	ADJ
eurjchem-1955	105	73	amino	amino	NOUN
eurjchem-1955	105	74	acids	acid	NOUN
eurjchem-1955	105	75	(	(	PUNCT
eurjchem-1955	105	76	ala	ala	PROPN
eurjchem-1955	105	77	533	533	NUM
eurjchem-1955	105	78	and	and	CCONJ
eurjchem-1955	105	79	asp	asp	PROPN
eurjchem-1955	105	80	534	534	NUM
eurjchem-1955	105	81	)	)	PUNCT
eurjchem-1955	105	82	at	at	ADP
eurjchem-1955	105	83	bond	bond	NOUN
eurjchem-1955	105	84	distances	distance	NOUN
eurjchem-1955	105	85	of	of	ADP
eurjchem-1955	105	86	3.34	3.34	NUM
eurjchem-1955	105	87	and	and	CCONJ
eurjchem-1955	105	88	3.96	3.96	NUM
eurjchem-1955	105	89	å	å	NOUN
eurjchem-1955	105	90	,	,	PUNCT
eurjchem-1955	105	91	respectively	respectively	ADV
eurjchem-1955	105	92	.	.	PUNCT
eurjchem-1955	106	1	the	the	DET
eurjchem-1955	106	2	2	2	NUM
eurjchem-1955	106	3	-	-	PUNCT
eurjchem-1955	106	4	cyclopropyl6	cyclopropyl6	NOUN
eurjchem-1955	106	5	-	-	PUNCT
eurjchem-1955	106	6	methylimidazo[1,2	methylimidazo[1,2	ADJ
eurjchem-1955	106	7	-	-	PUNCT
eurjchem-1955	106	8	a]pyridine	a]pyridine	NOUN
eurjchem-1955	106	9	moiety	moiety	NOUN
eurjchem-1955	106	10	in	in	ADP
eurjchem-1955	106	11	compound	compound	NOUN
eurjchem-1955	106	12	24	24	NUM
eurjchem-1955	106	13	formed	form	VERB
eurjchem-1955	106	14	eight	eight	NUM
eurjchem-1955	106	15	hydrophobic	hydrophobic	NOUN
eurjchem-1955	106	16	interaction	interaction	NOUN
eurjchem-1955	106	17	with	with	ADP
eurjchem-1955	106	18	leu	leu	PROPN
eurjchem-1955	106	19	613	613	NUM
eurjchem-1955	106	20	,	,	PUNCT
eurjchem-1955	106	21	met	meet	VERB
eurjchem-1955	106	22	616	616	NUM
eurjchem-1955	106	23	,	,	PUNCT
eurjchem-1955	106	24	pro	pro	X
eurjchem-1955	106	25	566	566	NUM
eurjchem-1955	106	26	,	,	PUNCT
eurjchem-1955	106	27	ala	ala	PROPN
eurjchem-1955	106	28	531	531	NUM
eurjchem-1955	106	29	,	,	PUNCT
eurjchem-1955	106	30	leu	leu	PROPN
eurjchem-1955	106	31	568	568	NUM
eurjchem-1955	106	32	,	,	PUNCT
eurjchem-1955	106	33	arg	arg	VERB
eurjchem-1955	106	34	609	609	NUM
eurjchem-1955	106	35	residues	residue	NOUN
eurjchem-1955	106	36	,	,	PUNCT
eurjchem-1955	106	37	and	and	CCONJ
eurjchem-1955	106	38	bromobenzene	bromobenzene	PROPN
eurjchem-1955	106	39	moiety	moiety	NOUN
eurjchem-1955	106	40	forms	form	NOUN
eurjchem-1955	106	41	only	only	ADV
eurjchem-1955	106	42	one	one	NUM
eurjchem-1955	106	43	hydrophobic	hydrophobic	NOUN
eurjchem-1955	106	44	interaction	interaction	NOUN
eurjchem-1955	106	45	with	with	ADP
eurjchem-1955	106	46	val	val	NOUN
eurjchem-1955	106	47	535	535	NUM
eurjchem-1955	106	48	at	at	ADP
eurjchem-1955	106	49	a	a	DET
eurjchem-1955	106	50	distance	distance	NOUN
eurjchem-1955	106	51	of	of	ADP
eurjchem-1955	106	52	4.77	4.77	NUM
eurjchem-1955	106	53	å	å	NOUN
eurjchem-1955	106	54	.	.	PUNCT
eurjchem-1955	107	1	compound	compound	NOUN
eurjchem-1955	107	2	25	25	NUM
eurjchem-1955	107	3	has	have	VERB
eurjchem-1955	107	4	no	no	DET
eurjchem-1955	107	5	h	h	NOUN
eurjchem-1955	107	6	-	-	PUNCT
eurjchem-1955	107	7	bond	bond	NOUN
eurjchem-1955	107	8	but	but	CCONJ
eurjchem-1955	107	9	formed	form	VERB
eurjchem-1955	107	10	eight	eight	NUM
eurjchem-1955	107	11	hydrophobic	hydrophobic	NOUN
eurjchem-1955	107	12	interactions	interaction	NOUN
eurjchem-1955	107	13	in	in	ADP
eurjchem-1955	107	14	which	which	PRON
eurjchem-1955	107	15	6	6	NUM
eurjchem-1955	107	16	-	-	PUNCT
eurjchem-1955	107	17	methyl2	methyl2	NOUN
eurjchem-1955	107	18	-	-	PUNCT
eurjchem-1955	107	19	propylimidazo[1,2	propylimidazo[1,2	PROPN
eurjchem-1955	107	20	-	-	PUNCT
eurjchem-1955	107	21	a]pyridine	a]pyridine	NOUN
eurjchem-1955	107	22	moiety	moiety	NOUN
eurjchem-1955	107	23	of	of	ADP
eurjchem-1955	107	24	the	the	DET
eurjchem-1955	107	25	inhibitor	inhibitor	NOUN
eurjchem-1955	107	26	interact	interact	VERB
eurjchem-1955	107	27	with	with	ADP
eurjchem-1955	107	28	met	meet	VERB
eurjchem-1955	107	29	616	616	NUM
eurjchem-1955	107	30	,	,	PUNCT
eurjchem-1955	107	31	leu	leu	PROPN
eurjchem-1955	107	32	568	568	NUM
eurjchem-1955	107	33	,	,	PUNCT
eurjchem-1955	107	34	try	try	VERB
eurjchem-1955	107	35	610	610	NUM
eurjchem-1955	107	36	,	,	PUNCT
eurjchem-1955	107	37	leu	leu	PROPN
eurjchem-1955	107	38	613	613	NUM
eurjchem-1955	107	39	,	,	PUNCT
eurjchem-1955	107	40	ala	ala	PROPN
eurjchem-1955	107	41	533	533	NUM
eurjchem-1955	107	42	,	,	PUNCT
eurjchem-1955	107	43	pro	pro	ADJ
eurjchem-1955	107	44	566	566	NUM
eurjchem-1955	107	45	amino	amino	NOUN
eurjchem-1955	107	46	acid	acid	NOUN
eurjchem-1955	107	47	residues	residue	NOUN
eurjchem-1955	107	48	at	at	ADP
eurjchem-1955	107	49	different	different	ADJ
eurjchem-1955	107	50	bond	bond	NOUN
eurjchem-1955	107	51	distances	distance	NOUN
eurjchem-1955	107	52	,	,	PUNCT
eurjchem-1955	107	53	and	and	CCONJ
eurjchem-1955	107	54	chlorobenzene	chlorobenzene	PROPN
eurjchem-1955	107	55	moiety	moiety	NOUN
eurjchem-1955	107	56	of	of	ADP
eurjchem-1955	107	57	the	the	DET
eurjchem-1955	107	58	compound	compound	NOUN
eurjchem-1955	107	59	formed	form	VERB
eurjchem-1955	107	60	five	five	NUM
eurjchem-1955	107	61	hydrophobic	hydrophobic	NOUN
eurjchem-1955	107	62	interaction	interaction	NOUN
eurjchem-1955	107	63	with	with	ADP
eurjchem-1955	107	64	leu	leu	PROPN
eurjchem-1955	107	65	563	563	NUM
eurjchem-1955	107	66	,	,	PUNCT
eurjchem-1955	107	67	leu	leu	PROPN
eurjchem-1955	107	68	529	529	NUM
eurjchem-1955	107	69	,	,	PUNCT
eurjchem-1955	107	70	ala	ala	PROPN
eurjchem-1955	107	71	531	531	NUM
eurjchem-1955	107	72	.	.	PUNCT
eurjchem-1955	108	1	compound	compound	NOUN
eurjchem-1955	108	2	33	33	NUM
eurjchem-1955	108	3	binds	bind	VERB
eurjchem-1955	108	4	with	with	ADP
eurjchem-1955	108	5	h	h	NOUN
eurjchem-1955	108	6	-	-	PUNCT
eurjchem-1955	108	7	bond	bond	NOUN
eurjchem-1955	108	8	energy	energy	NOUN
eurjchem-1955	108	9	of	of	ADP
eurjchem-1955	108	10	-2.83173	-2.83173	PROPN
eurjchem-1955	108	11	kcal	kcal	PROPN
eurjchem-1955	108	12	/	/	SYM
eurjchem-1955	108	13	mol	mol	PROPN
eurjchem-1955	108	14	,	,	PUNCT
eurjchem-1955	108	15	where	where	SCONJ
eurjchem-1955	108	16	oxygen	oxygen	NOUN
eurjchem-1955	108	17	of	of	ADP
eurjchem-1955	108	18	carbonyl	carbonyl	NOUN
eurjchem-1955	108	19	in	in	ADP
eurjchem-1955	108	20	2	2	NUM
eurjchem-1955	108	21	-	-	PUNCT
eurjchem-1955	108	22	cyclopropyl-6	cyclopropyl-6	NUM
eurjchem-1955	108	23	-	-	PUNCT
eurjchem-1955	108	24	methylimidazo[1,2	methylimidazo[1,2	NOUN
eurjchem-1955	108	25	-	-	PUNCT
eurjchem-1955	108	26	a	a	NOUN
eurjchem-1955	108	27	]	]	X
eurjchem-1955	108	28	pyridine	pyridine	ADJ
eurjchem-1955	108	29	moiety	moiety	NOUN
eurjchem-1955	108	30	interact	interact	NOUN
eurjchem-1955	108	31	with	with	ADP
eurjchem-1955	108	32	pro	pro	ADJ
eurjchem-1955	108	33	566	566	NUM
eurjchem-1955	108	34	residue	residue	NOUN
eurjchem-1955	108	35	,	,	PUNCT
eurjchem-1955	108	36	and	and	CCONJ
eurjchem-1955	108	37	-nh	-nh	AUX
eurjchem-1955	108	38	group	group	NOUN
eurjchem-1955	108	39	interact	interact	VERB
eurjchem-1955	108	40	with	with	ADP
eurjchem-1955	108	41	ala	ala	PROPN
eurjchem-1955	108	42	533	533	NUM
eurjchem-1955	108	43	resulting	result	VERB
eurjchem-1955	108	44	to	to	ADP
eurjchem-1955	108	45	two	two	NUM
eurjchem-1955	108	46	major	major	ADJ
eurjchem-1955	108	47	h	h	NOUN
eurjchem-1955	108	48	-	-	PUNCT
eurjchem-1955	108	49	bond	bond	NOUN
eurjchem-1955	108	50	interactions	interaction	NOUN
eurjchem-1955	108	51	at	at	ADP
eurjchem-1955	108	52	different	different	ADJ
eurjchem-1955	108	53	distances	distance	NOUN
eurjchem-1955	108	54	,	,	PUNCT
eurjchem-1955	108	55	while	while	SCONJ
eurjchem-1955	108	56	three	three	NUM
eurjchem-1955	108	57	hydrophobic	hydrophobic	NOUN
eurjchem-1955	108	58	interactions	interaction	NOUN
eurjchem-1955	108	59	were	be	AUX
eurjchem-1955	108	60	formed	form	VERB
eurjchem-1955	108	61	with	with	ADP
eurjchem-1955	108	62	leu	leu	PROPN
eurjchem-1955	108	63	568	568	NUM
eurjchem-1955	108	64	,	,	PUNCT
eurjchem-1955	108	65	pro	pro	X
eurjchem-1955	108	66	566	566	NUM
eurjchem-1955	108	67	,	,	PUNCT
eurjchem-1955	108	68	and	and	CCONJ
eurjchem-1955	108	69	ala	ala	PROPN
eurjchem-1955	108	70	533	533	NUM
eurjchem-1955	108	71	amino	amino	NOUN
eurjchem-1955	108	72	acid	acid	NOUN
eurjchem-1955	108	73	.	.	PUNCT
eurjchem-1955	109	1	compound	compound	NOUN
eurjchem-1955	109	2	35	35	NUM
eurjchem-1955	109	3	also	also	ADV
eurjchem-1955	109	4	formed	form	VERB
eurjchem-1955	109	5	two	two	NUM
eurjchem-1955	109	6	major	major	ADJ
eurjchem-1955	109	7	h	h	NOUN
eurjchem-1955	109	8	-	-	PUNCT
eurjchem-1955	109	9	bond	bond	NOUN
eurjchem-1955	109	10	interactions	interaction	NOUN
eurjchem-1955	109	11	with	with	ADP
eurjchem-1955	109	12	ala	ala	PROPN
eurjchem-1955	109	13	564	564	NUM
eurjchem-1955	109	14	and	and	CCONJ
eurjchem-1955	109	15	arg	arg	VERB
eurjchem-1955	109	16	634	634	NUM
eurjchem-1955	109	17	having	have	VERB
eurjchem-1955	109	18	h	h	NOUN
eurjchem-1955	109	19	-	-	PUNCT
eurjchem-1955	109	20	bond	bond	NOUN
eurjchem-1955	109	21	energy	energy	NOUN
eurjchem-1955	109	22	of	of	ADP
eurjchem-1955	109	23	-1.3371	-1.3371	PROPN
eurjchem-1955	109	24	kcal	kcal	PROPN
eurjchem-1955	109	25	/	/	SYM
eurjchem-1955	109	26	mol	mol	PROPN
eurjchem-1955	109	27	,	,	PUNCT
eurjchem-1955	109	28	and	and	CCONJ
eurjchem-1955	109	29	nine	nine	NUM
eurjchem-1955	109	30	hydrophobic	hydrophobic	NOUN
eurjchem-1955	109	31	interactions	interaction	NOUN
eurjchem-1955	109	32	with	with	ADP
eurjchem-1955	109	33	different	different	ADJ
eurjchem-1955	109	34	amino	amino	NOUN
eurjchem-1955	109	35	acid	acid	NOUN
eurjchem-1955	109	36	residues	residue	NOUN
eurjchem-1955	109	37	at	at	ADP
eurjchem-1955	109	38	different	different	ADJ
eurjchem-1955	109	39	bond	bond	NOUN
eurjchem-1955	109	40	distances	distance	NOUN
eurjchem-1955	109	41	respectively	respectively	ADV
eurjchem-1955	109	42	.	.	PUNCT
eurjchem-1955	110	1	the	the	DET
eurjchem-1955	110	2	2d	2d	NOUN
eurjchem-1955	110	3	and	and	CCONJ
eurjchem-1955	110	4	3d	3d	NUM
eurjchem-1955	110	5	binding	bind	VERB
eurjchem-1955	110	6	poses	pose	NOUN
eurjchem-1955	110	7	of	of	ADP
eurjchem-1955	110	8	complex	complex	ADJ
eurjchem-1955	110	9	24	24	NUM
eurjchem-1955	110	10	,	,	PUNCT
eurjchem-1955	110	11	25	25	NUM
eurjchem-1955	110	12	,	,	PUNCT
eurjchem-1955	110	13	33	33	NUM
eurjchem-1955	110	14	and	and	CCONJ
eurjchem-1955	110	15	35	35	NUM
eurjchem-1955	110	16	were	be	AUX
eurjchem-1955	110	17	accordingly	accordingly	ADV
eurjchem-1955	110	18	shown	show	VERB
eurjchem-1955	110	19	in	in	ADP
eurjchem-1955	110	20	figure	figure	NOUN
eurjchem-1955	110	21	2a	2a	NUM
eurjchem-1955	110	22	-	-	PUNCT
eurjchem-1955	110	23	c	c	NOUN
eurjchem-1955	110	24	,	,	PUNCT
eurjchem-1955	110	25	3a	3a	NUM
eurjchem-1955	110	26	-	-	SYM
eurjchem-1955	110	27	c	c	NOUN
eurjchem-1955	110	28	,	,	PUNCT
eurjchem-1955	110	29	4a	4a	NUM
eurjchem-1955	110	30	-	-	PUNCT
eurjchem-1955	110	31	c	c	NOUN
eurjchem-1955	110	32	,	,	PUNCT
eurjchem-1955	110	33	and	and	CCONJ
eurjchem-1955	110	34	5a	5a	NUM
eurjchem-1955	110	35	-	-	SYM
eurjchem-1955	110	36	c	c	NOUN
eurjchem-1955	110	37	,	,	PUNCT
eurjchem-1955	110	38	while	while	SCONJ
eurjchem-1955	110	39	other	other	ADJ
eurjchem-1955	110	40	interactions	interaction	NOUN
eurjchem-1955	110	41	including	include	VERB
eurjchem-1955	110	42	electrostatic	electrostatic	ADJ
eurjchem-1955	110	43	and	and	CCONJ
eurjchem-1955	110	44	steric	steric	ADJ
eurjchem-1955	110	45	interactions	interaction	NOUN
eurjchem-1955	110	46	of	of	ADP
eurjchem-1955	110	47	the	the	DET
eurjchem-1955	110	48	complexes	complex	NOUN
eurjchem-1955	110	49	were	be	AUX
eurjchem-1955	110	50	also	also	ADV
eurjchem-1955	110	51	shown	show	VERB
eurjchem-1955	110	52	in	in	ADP
eurjchem-1955	110	53	table	table	NOUN
eurjchem-1955	110	54	3	3	NUM
eurjchem-1955	110	55	.	.	NOUN
eurjchem-1955	110	56	2020	2020	NUM
eurjchem-1955	110	57	–	–	PUNCT
eurjchem-1955	110	58	european	european	ADJ
eurjchem-1955	110	59	journal	journal	NOUN
eurjchem-1955	110	60	of	of	ADP
eurjchem-1955	110	61	chemistry	chemistry	NOUN
eurjchem-1955	110	62	–	–	PUNCT
eurjchem-1955	110	63	cc	cc	NOUN
eurjchem-1955	110	64	by	by	ADP
eurjchem-1955	110	65	nc	nc	PROPN
eurjchem-1955	110	66	–	–	PUNCT
eurjchem-1955	110	67	doi	doi	NOUN
eurjchem-1955	110	68	:	:	PUNCT
eurjchem-1955	110	69	10.5155	10.5155	NUM
eurjchem-1955	110	70	/	/	SYM
eurjchem-1955	110	71	eurjchem.11.1.30	eurjchem.11.1.30	NOUN
eurjchem-1955	110	72	-	-	PUNCT
eurjchem-1955	110	73	36.1950	36.1950	NUM
eurjchem-1955	110	74	abdullahi	abdullahi	NOUN
eurjchem-1955	110	75	et	et	PROPN
eurjchem-1955	110	76	al	al	PROPN
eurjchem-1955	110	77	.	.	PUNCT
eurjchem-1955	110	78	/	/	SYM
eurjchem-1955	110	79	european	european	PROPN
eurjchem-1955	110	80	journal	journal	PROPN
eurjchem-1955	110	81	of	of	ADP
eurjchem-1955	110	82	chemistry	chemistry	NOUN
eurjchem-1955	110	83	11	11	NUM
eurjchem-1955	110	84	(	(	PUNCT
eurjchem-1955	110	85	1	1	NUM
eurjchem-1955	110	86	)	)	PUNCT
eurjchem-1955	110	87	(	(	PUNCT
eurjchem-1955	110	88	2020	2020	NUM
eurjchem-1955	110	89	)	)	PUNCT
eurjchem-1955	110	90	30	30	NUM
eurjchem-1955	110	91	-	-	SYM
eurjchem-1955	110	92	36	36	NUM
eurjchem-1955	110	93	33	33	NUM
eurjchem-1955	110	94	table	table	NOUN
eurjchem-1955	110	95	2	2	NUM
eurjchem-1955	110	96	.	.	PUNCT
eurjchem-1955	110	97	binding	bind	VERB
eurjchem-1955	110	98	score	score	NOUN
eurjchem-1955	110	99	of	of	ADP
eurjchem-1955	110	100	the	the	DET
eurjchem-1955	110	101	inhibitors	inhibitor	NOUN
eurjchem-1955	110	102	to	to	PART
eurjchem-1955	110	103	m.	m.	VERB
eurjchem-1955	110	104	tuberculosis	tuberculosis	PRON
eurjchem-1955	110	105	dna	dna	PROPN
eurjchem-1955	110	106	gyrase	gyrase	NOUN
eurjchem-1955	110	107	based	base	VERB
eurjchem-1955	110	108	on	on	ADP
eurjchem-1955	110	109	moldock	moldock	NOUN
eurjchem-1955	110	110	,	,	PUNCT
eurjchem-1955	110	111	plants	plant	NOUN
eurjchem-1955	110	112	scoring	score	VERB
eurjchem-1955	110	113	function	function	NOUN
eurjchem-1955	110	114	and	and	CCONJ
eurjchem-1955	110	115	reranking	reranke	VERB
eurjchem-1955	110	116	score	score	NOUN
eurjchem-1955	110	117	.	.	PUNCT
eurjchem-1955	111	1	complex	complex	ADJ
eurjchem-1955	111	2	eintra	eintra	ADJ
eurjchem-1955	111	3	(	(	PUNCT
eurjchem-1955	111	4	kcal	kcal	PROPN
eurjchem-1955	111	5	/	/	SYM
eurjchem-1955	111	6	mol	mol	NOUN
eurjchem-1955	111	7	)	)	PUNCT
eurjchem-1955	111	8	einter	einter	NOUN
eurjchem-1955	111	9	(	(	PUNCT
eurjchem-1955	111	10	kcal	kcal	PROPN
eurjchem-1955	111	11	/	/	SYM
eurjchem-1955	111	12	mol	mol	NOUN
eurjchem-1955	111	13	)	)	PUNCT
eurjchem-1955	111	14	moldock	moldock	NOUN
eurjchem-1955	111	15	score	score	NOUN
eurjchem-1955	111	16	(	(	PUNCT
eurjchem-1955	111	17	kcal	kcal	NOUN
eurjchem-1955	111	18	/	/	SYM
eurjchem-1955	111	19	mol	mol	NOUN
eurjchem-1955	111	20	)	)	PUNCT
eurjchem-1955	111	21	plants	plant	NOUN
eurjchem-1955	111	22	score	score	NOUN
eurjchem-1955	111	23	(	(	PUNCT
eurjchem-1955	111	24	kcal	kcal	NOUN
eurjchem-1955	111	25	/	/	SYM
eurjchem-1955	111	26	mol	mol	NOUN
eurjchem-1955	111	27	)	)	PUNCT
eurjchem-1955	111	28	rerank	rerank	NOUN
eurjchem-1955	111	29	score	score	NOUN
eurjchem-1955	111	30	heavy	heavy	ADJ
eurjchem-1955	111	31	atoms	atom	NOUN
eurjchem-1955	111	32	1	1	NUM
eurjchem-1955	111	33	14.633	14.633	NUM
eurjchem-1955	111	34	-135.410	-135.410	NUM
eurjchem-1955	111	35	-120.778	-120.778	PUNCT
eurjchem-1955	111	36	-63.5814	-63.5814	SYM
eurjchem-1955	111	37	-85.0878	-85.0878	NUM
eurjchem-1955	111	38	26	26	NUM
eurjchem-1955	111	39	2	2	NUM
eurjchem-1955	111	40	17.730	17.730	NUM
eurjchem-1955	111	41	-121.693	-121.693	NUM
eurjchem-1955	111	42	-103.964	-103.964	PROPN
eurjchem-1955	111	43	-67.6286	-67.6286	SYM
eurjchem-1955	111	44	-85.7196	-85.7196	NUM
eurjchem-1955	111	45	24	24	NUM
eurjchem-1955	111	46	3	3	NUM
eurjchem-1955	111	47	11.714	11.714	NUM
eurjchem-1955	111	48	-125.648	-125.648	NUM
eurjchem-1955	111	49	-113.934	-113.934	PROPN
eurjchem-1955	111	50	-66.0500	-66.0500	SYM
eurjchem-1955	111	51	-83.6646	-83.6646	NUM
eurjchem-1955	111	52	24	24	NUM
eurjchem-1955	111	53	4	4	NUM
eurjchem-1955	111	54	-0.0096	-0.0096	NOUN
eurjchem-1955	111	55	-121.217	-121.217	NUM
eurjchem-1955	111	56	-121.269	-121.269	PROPN
eurjchem-1955	111	57	-65.3775	-65.3775	PUNCT
eurjchem-1955	111	58	-79.7315	-79.7315	SYM
eurjchem-1955	111	59	24	24	NUM
eurjchem-1955	111	60	5	5	NUM
eurjchem-1955	111	61	6.724	6.724	NUM
eurjchem-1955	111	62	-147.199	-147.199	NUM
eurjchem-1955	111	63	-140.476	-140.476	INTJ
eurjchem-1955	111	64	-64.9392	-64.9392	SYM
eurjchem-1955	111	65	-91.1801	-91.1801	SYM
eurjchem-1955	111	66	25	25	NUM
eurjchem-1955	111	67	6	6	NUM
eurjchem-1955	111	68	16.791	16.791	NUM
eurjchem-1955	111	69	-113.492	-113.492	NUM
eurjchem-1955	111	70	-113.493	-113.493	NUM
eurjchem-1955	111	71	-70.2678	-70.2678	PUNCT
eurjchem-1955	111	72	-88.0665	-88.0665	SYM
eurjchem-1955	111	73	24	24	NUM
eurjchem-1955	111	74	7	7	NUM
eurjchem-1955	111	75	17.270	17.270	NUM
eurjchem-1955	111	76	128.789	128.789	NUM
eurjchem-1955	111	77	-111.520	-111.520	NUM
eurjchem-1955	111	78	-71.7892	-71.7892	SYM
eurjchem-1955	111	79	-89.0645	-89.0645	PROPN
eurjchem-1955	111	80	24	24	NUM
eurjchem-1955	111	81	8	8	NUM
eurjchem-1955	111	82	17.997	17.997	NUM
eurjchem-1955	111	83	-124.631	-124.631	NUM
eurjchem-1955	111	84	-106.632	-106.632	NUM
eurjchem-1955	111	85	-68.9545	-68.9545	SYM
eurjchem-1955	111	86	-88.8032	-88.8032	NUM
eurjchem-1955	111	87	24	24	NUM
eurjchem-1955	111	88	9	9	NUM
eurjchem-1955	111	89	9.595	9.595	NUM
eurjchem-1955	111	90	-116.183	-116.183	NOUN
eurjchem-1955	112	1	-106.587	-106.587	PROPN
eurjchem-1955	112	2	-70.5702	-70.5702	SYM
eurjchem-1955	112	3	-85.6460	-85.6460	SYM
eurjchem-1955	112	4	24	24	NUM
eurjchem-1955	112	5	10	10	NUM
eurjchem-1955	112	6	8.516	8.516	NUM
eurjchem-1955	112	7	-111.535	-111.535	PROPN
eurjchem-1955	112	8	-103.020	-103.020	SYM
eurjchem-1955	112	9	-69.9792	-69.9792	SYM
eurjchem-1955	112	10	-69.6327	-69.6327	SYM
eurjchem-1955	112	11	24	24	NUM
eurjchem-1955	112	12	11	11	NUM
eurjchem-1955	112	13	13.192	13.192	NUM
eurjchem-1955	112	14	-123.692	-123.692	NUM
eurjchem-1955	112	15	-110.502	-110.502	NUM
eurjchem-1955	112	16	-73.5411	-73.5411	SYM
eurjchem-1955	112	17	-89.1749	-89.1749	NUM
eurjchem-1955	112	18	25	25	NUM
eurjchem-1955	112	19	12	12	NUM
eurjchem-1955	112	20	8.665	8.665	NUM
eurjchem-1955	112	21	-116.146	-116.146	PROPN
eurjchem-1955	112	22	-107.481	-107.481	NUM
eurjchem-1955	112	23	-68.9313	-68.9313	SYM
eurjchem-1955	112	24	-85.5038	-85.5038	SYM
eurjchem-1955	112	25	25	25	NUM
eurjchem-1955	112	26	13	13	NUM
eurjchem-1955	112	27	20.960	20.960	NUM
eurjchem-1955	112	28	-135.934	-135.934	NOUN
eurjchem-1955	112	29	-114.958	-114.958	X
eurjchem-1955	112	30	-67.3621	-67.3621	PUNCT
eurjchem-1955	112	31	-67.7593	-67.7593	NUM
eurjchem-1955	112	32	25	25	NUM
eurjchem-1955	112	33	14	14	NUM
eurjchem-1955	112	34	14.593	14.593	NUM
eurjchem-1955	112	35	-133.117	-133.117	PROPN
eurjchem-1955	112	36	-118.524	-118.524	PROPN
eurjchem-1955	112	37	-74.9269	-74.9269	SYM
eurjchem-1955	112	38	-95.6256	-95.6256	NUM
eurjchem-1955	112	39	25	25	NUM
eurjchem-1955	112	40	15	15	NUM
eurjchem-1955	112	41	15.154	15.154	NUM
eurjchem-1955	112	42	-127.155	-127.155	NUM
eurjchem-1955	112	43	-112.002	-112.002	NUM
eurjchem-1955	112	44	-69.6234	-69.6234	NUM
eurjchem-1955	112	45	-89.5573	-89.5573	SYM
eurjchem-1955	112	46	25	25	NUM
eurjchem-1955	112	47	16	16	NUM
eurjchem-1955	112	48	12.878	12.878	NUM
eurjchem-1955	112	49	-125.672	-125.672	NUM
eurjchem-1955	112	50	-112.795	-112.795	NUM
eurjchem-1955	112	51	-69.6465	-69.6465	PUNCT
eurjchem-1955	112	52	-88.9493	-88.9493	NUM
eurjchem-1955	112	53	25	25	NUM
eurjchem-1955	112	54	17	17	NUM
eurjchem-1955	112	55	14.054	14.054	NUM
eurjchem-1955	112	56	-121.969	-121.969	PROPN
eurjchem-1955	112	57	-107.915	-107.915	NUM
eurjchem-1955	112	58	-70.5942	-70.5942	NUM
eurjchem-1955	112	59	-88.7408	-88.7408	SYM
eurjchem-1955	112	60	26	26	NUM
eurjchem-1955	112	61	18	18	NUM
eurjchem-1955	112	62	13.454	13.454	NUM
eurjchem-1955	112	63	125.145	125.145	NUM
eurjchem-1955	112	64	-111.691	-111.691	PROPN
eurjchem-1955	112	65	-70.6211	-70.6211	PUNCT
eurjchem-1955	112	66	-88.6235	-88.6235	PUNCT
eurjchem-1955	112	67	26	26	NUM
eurjchem-1955	112	68	19	19	NUM
eurjchem-1955	112	69	9.572	9.572	NUM
eurjchem-1955	112	70	-127.421	-127.421	PRON
eurjchem-1955	112	71	-117.849	-117.849	NUM
eurjchem-1955	112	72	-68.5039	-68.5039	X
eurjchem-1955	112	73	-96.5660	-96.5660	NUM
eurjchem-1955	112	74	26	26	NUM
eurjchem-1955	112	75	20	20	NUM
eurjchem-1955	112	76	4.354	4.354	NUM
eurjchem-1955	112	77	-122.293	-122.293	NUM
eurjchem-1955	112	78	-107.939	-107.939	NUM
eurjchem-1955	112	79	-73.6718	-73.6718	PUNCT
eurjchem-1955	112	80	-88.1530	-88.1530	NUM
eurjchem-1955	112	81	26	26	NUM
eurjchem-1955	112	82	21	21	NUM
eurjchem-1955	112	83	18.522	18.522	NUM
eurjchem-1955	112	84	-129.591	-129.591	NUM
eurjchem-1955	112	85	-111.068	-111.068	NUM
eurjchem-1955	112	86	-71.9622	-71.9622	NUM
eurjchem-1955	112	87	-83.0864	-83.0864	NUM
eurjchem-1955	112	88	26	26	NUM
eurjchem-1955	112	89	22	22	NUM
eurjchem-1955	112	90	20.385	20.385	NUM
eurjchem-1955	112	91	-122.184	-122.184	NUM
eurjchem-1955	112	92	-101.799	-101.799	NUM
eurjchem-1955	112	93	-71.6454	-71.6454	SYM
eurjchem-1955	112	94	-86.3710	-86.3710	NUM
eurjchem-1955	112	95	26	26	NUM
eurjchem-1955	112	96	23	23	NUM
eurjchem-1955	112	97	14.609	14.609	NUM
eurjchem-1955	112	98	136.021	136.021	NUM
eurjchem-1955	112	99	-121.411	-121.411	PROPN
eurjchem-1955	112	100	-78.4866	-78.4866	INTJ
eurjchem-1955	112	101	-96.5763	-96.5763	NUM
eurjchem-1955	112	102	26	26	NUM
eurjchem-1955	112	103	24	24	NUM
eurjchem-1955	112	104	14.977	14.977	NUM
eurjchem-1955	112	105	-139.309	-139.309	NUM
eurjchem-1955	112	106	-124.332	-124.332	PROPN
eurjchem-1955	112	107	-78.3878	-78.3878	PUNCT
eurjchem-1955	112	108	-101.047	-101.047	NOUN
eurjchem-1955	112	109	26	26	NUM
eurjchem-1955	112	110	25	25	NUM
eurjchem-1955	112	111	9.975	9.975	NUM
eurjchem-1955	112	112	-143.064	-143.064	NUM
eurjchem-1955	112	113	-133.089	-133.089	NUM
eurjchem-1955	112	114	-68.8083	-68.8083	INTJ
eurjchem-1955	112	115	-81.5543	-81.5543	NUM
eurjchem-1955	112	116	26	26	NUM
eurjchem-1955	112	117	26	26	NUM
eurjchem-1955	112	118	13.782	13.782	NUM
eurjchem-1955	112	119	-123.351	-123.351	NOUN
eurjchem-1955	112	120	-109.568	-109.568	PROPN
eurjchem-1955	112	121	-69.8936	-69.8936	SYM
eurjchem-1955	112	122	-89.8933	-89.8933	SYM
eurjchem-1955	112	123	24	24	NUM
eurjchem-1955	112	124	27	27	NUM
eurjchem-1955	112	125	21.114	21.114	NUM
eurjchem-1955	112	126	-129.713	-129.713	PROPN
eurjchem-1955	112	127	-108.599	-108.599	PROPN
eurjchem-1955	112	128	-69.3726	-69.3726	SYM
eurjchem-1955	112	129	-85.4175	-85.4175	NUM
eurjchem-1955	112	130	24	24	NUM
eurjchem-1955	112	131	28	28	NUM
eurjchem-1955	112	132	18.027	18.027	NUM
eurjchem-1955	112	133	-129.559	-129.559	NUM
eurjchem-1955	112	134	-111.532	-111.532	NUM
eurjchem-1955	112	135	-70.2911	-70.2911	SYM
eurjchem-1955	112	136	-91.8876	-91.8876	NUM
eurjchem-1955	112	137	25	25	NUM
eurjchem-1955	112	138	29	29	NUM
eurjchem-1955	112	139	12.196	12.196	NUM
eurjchem-1955	112	140	-125.406	-125.406	NUM
eurjchem-1955	112	141	-113.210	-113.210	PROPN
eurjchem-1955	112	142	-74.5718	-74.5718	PUNCT
eurjchem-1955	112	143	-90.8904	-90.8904	NUM
eurjchem-1955	112	144	26	26	NUM
eurjchem-1955	112	145	30	30	NUM
eurjchem-1955	112	146	12.410	12.410	NUM
eurjchem-1955	112	147	-129.957	-129.957	NOUN
eurjchem-1955	112	148	-117.546	-117.546	PUNCT
eurjchem-1955	112	149	-73.3149	-73.3149	SYM
eurjchem-1955	112	150	-92.4200	-92.4200	SYM
eurjchem-1955	112	151	26	26	NUM
eurjchem-1955	112	152	31	31	NUM
eurjchem-1955	112	153	11.136	11.136	NUM
eurjchem-1955	112	154	-126.062	-126.062	NUM
eurjchem-1955	112	155	-114.925	-114.925	NUM
eurjchem-1955	112	156	-75.1457	-75.1457	SYM
eurjchem-1955	112	157	-92.6054	-92.6054	SYM
eurjchem-1955	112	158	26	26	NUM
eurjchem-1955	112	159	32	32	NUM
eurjchem-1955	112	160	17.216	17.216	NUM
eurjchem-1955	112	161	-137.370	-137.370	NUM
eurjchem-1955	112	162	-120.153	-120.153	NUM
eurjchem-1955	112	163	-69.1705	-69.1705	NUM
eurjchem-1955	112	164	-93.6688	-93.6688	NUM
eurjchem-1955	112	165	26	26	NUM
eurjchem-1955	112	166	33	33	NUM
eurjchem-1955	112	167	10.340	10.340	NUM
eurjchem-1955	112	168	-138.840	-138.840	NUM
eurjchem-1955	112	169	-128.500	-128.500	NUM
eurjchem-1955	112	170	-70.5756	-70.5756	SYM
eurjchem-1955	112	171	-105.393	-105.393	PROPN
eurjchem-1955	112	172	27	27	NUM
eurjchem-1955	112	173	34	34	NUM
eurjchem-1955	112	174	9.590	9.590	NUM
eurjchem-1955	112	175	-130.952	-130.952	PROPN
eurjchem-1955	112	176	-121.362	-121.362	NUM
eurjchem-1955	112	177	-71.2562	-71.2562	PUNCT
eurjchem-1955	112	178	-94.0835	-94.0835	NUM
eurjchem-1955	112	179	26	26	NUM
eurjchem-1955	112	180	35	35	NUM
eurjchem-1955	112	181	20.772	20.772	NUM
eurjchem-1955	112	182	-138.297	-138.297	PROPN
eurjchem-1955	112	183	-117.523	-117.523	PROPN
eurjchem-1955	112	184	-75.8123	-75.8123	SYM
eurjchem-1955	112	185	-92.5562	-92.5562	SYM
eurjchem-1955	112	186	37	37	NUM
eurjchem-1955	112	187	(	(	PUNCT
eurjchem-1955	112	188	a	a	NOUN
eurjchem-1955	112	189	)	)	PUNCT
eurjchem-1955	112	190	docked	docked	ADJ
eurjchem-1955	112	191	view	view	NOUN
eurjchem-1955	112	192	of	of	ADP
eurjchem-1955	112	193	compound	compound	NOUN
eurjchem-1955	112	194	5	5	NUM
eurjchem-1955	112	195	with	with	ADP
eurjchem-1955	112	196	the	the	DET
eurjchem-1955	112	197	active	active	ADJ
eurjchem-1955	112	198	site	site	NOUN
eurjchem-1955	112	199	of	of	ADP
eurjchem-1955	112	200	the	the	DET
eurjchem-1955	112	201	target	target	NOUN
eurjchem-1955	112	202	3ig0	3ig0	NUM
eurjchem-1955	112	203	.	.	PUNCT
eurjchem-1955	113	1	(	(	PUNCT
eurjchem-1955	113	2	b	b	X
eurjchem-1955	113	3	)	)	PUNCT
eurjchem-1955	113	4	hydrogen	hydrogen	NOUN
eurjchem-1955	113	5	bond	bond	NOUN
eurjchem-1955	113	6	(	(	PUNCT
eurjchem-1955	113	7	green	green	ADJ
eurjchem-1955	113	8	)	)	PUNCT
eurjchem-1955	113	9	and	and	CCONJ
eurjchem-1955	113	10	hydrophobic	hydrophobic	NOUN
eurjchem-1955	113	11	interactions	interaction	NOUN
eurjchem-1955	113	12	of	of	ADP
eurjchem-1955	113	13	compound	compound	NOUN
eurjchem-1955	113	14	5	5	NUM
eurjchem-1955	113	15	with	with	ADP
eurjchem-1955	113	16	the	the	DET
eurjchem-1955	113	17	active	active	ADJ
eurjchem-1955	113	18	site	site	NOUN
eurjchem-1955	113	19	of	of	ADP
eurjchem-1955	113	20	target	target	NOUN
eurjchem-1955	113	21	3ig0	3ig0	NUM
eurjchem-1955	113	22	from	from	ADP
eurjchem-1955	113	23	discovery	discovery	NOUN
eurjchem-1955	113	24	studio	studio	NOUN
eurjchem-1955	113	25	viewer	viewer	NOUN
eurjchem-1955	113	26	.	.	PUNCT
eurjchem-1955	114	1	(	(	PUNCT
eurjchem-1955	114	2	c	c	X
eurjchem-1955	114	3	)	)	PUNCT
eurjchem-1955	114	4	hydrogen	hydrogen	NOUN
eurjchem-1955	114	5	bond	bond	NOUN
eurjchem-1955	114	6	(	(	PUNCT
eurjchem-1955	114	7	blue	blue	ADJ
eurjchem-1955	114	8	lines	line	NOUN
eurjchem-1955	114	9	)	)	PUNCT
eurjchem-1955	114	10	and	and	CCONJ
eurjchem-1955	114	11	steric	steric	ADJ
eurjchem-1955	114	12	interactions	interaction	NOUN
eurjchem-1955	114	13	(	(	PUNCT
eurjchem-1955	114	14	brown	brown	ADJ
eurjchem-1955	114	15	lines	line	NOUN
eurjchem-1955	114	16	)	)	PUNCT
eurjchem-1955	114	17	of	of	ADP
eurjchem-1955	114	18	compound	compound	NOUN
eurjchem-1955	114	19	5	5	NUM
eurjchem-1955	114	20	with	with	ADP
eurjchem-1955	114	21	the	the	DET
eurjchem-1955	114	22	active	active	ADJ
eurjchem-1955	114	23	site	site	NOUN
eurjchem-1955	114	24	of	of	ADP
eurjchem-1955	114	25	target	target	NOUN
eurjchem-1955	114	26	3ig0	3ig0	NUM
eurjchem-1955	114	27	from	from	ADP
eurjchem-1955	114	28	molegro	molegro	ADJ
eurjchem-1955	114	29	virtual	virtual	ADJ
eurjchem-1955	114	30	viewer	viewer	NOUN
eurjchem-1955	114	31	.	.	PUNCT
eurjchem-1955	115	1	figure	figure	NOUN
eurjchem-1955	115	2	1	1	NUM
eurjchem-1955	115	3	.	.	X
eurjchem-1955	116	1	3d	3d	NOUN
eurjchem-1955	116	2	and	and	CCONJ
eurjchem-1955	116	3	2d	2d	NUM
eurjchem-1955	116	4	binding	bind	VERB
eurjchem-1955	116	5	pose	pose	NOUN
eurjchem-1955	116	6	of	of	ADP
eurjchem-1955	116	7	complex	complex	ADJ
eurjchem-1955	116	8	5	5	NUM
eurjchem-1955	116	9	.	.	NOUN
eurjchem-1955	116	10	2020	2020	NUM
eurjchem-1955	116	11	–	–	PUNCT
eurjchem-1955	116	12	european	european	ADJ
eurjchem-1955	116	13	journal	journal	NOUN
eurjchem-1955	116	14	of	of	ADP
eurjchem-1955	116	15	chemistry	chemistry	NOUN
eurjchem-1955	116	16	–	–	PUNCT
eurjchem-1955	116	17	cc	cc	NOUN
eurjchem-1955	116	18	by	by	ADP
eurjchem-1955	116	19	nc	nc	PROPN
eurjchem-1955	116	20	–	–	PUNCT
eurjchem-1955	116	21	doi	doi	NOUN
eurjchem-1955	116	22	:	:	PUNCT
eurjchem-1955	116	23	10.5155	10.5155	NUM
eurjchem-1955	116	24	/	/	SYM
eurjchem-1955	116	25	eurjchem.11.1.30	eurjchem.11.1.30	NOUN
eurjchem-1955	116	26	-	-	NOUN
eurjchem-1955	116	27	36.1950	36.1950	NUM
eurjchem-1955	116	28	34	34	NUM
eurjchem-1955	116	29	abdullahi	abdullahi	PROPN
eurjchem-1955	116	30	et	et	PROPN
eurjchem-1955	116	31	al	al	PROPN
eurjchem-1955	116	32	.	.	PUNCT
eurjchem-1955	116	33	/	/	SYM
eurjchem-1955	116	34	european	european	PROPN
eurjchem-1955	116	35	journal	journal	PROPN
eurjchem-1955	116	36	of	of	ADP
eurjchem-1955	116	37	chemistry	chemistry	NOUN
eurjchem-1955	116	38	11	11	NUM
eurjchem-1955	116	39	(	(	PUNCT
eurjchem-1955	116	40	1	1	NUM
eurjchem-1955	116	41	)	)	PUNCT
eurjchem-1955	116	42	(	(	PUNCT
eurjchem-1955	116	43	2020	2020	NUM
eurjchem-1955	116	44	)	)	PUNCT
eurjchem-1955	116	45	30	30	NUM
eurjchem-1955	116	46	-	-	SYM
eurjchem-1955	116	47	36	36	NUM
eurjchem-1955	116	48	(	(	PUNCT
eurjchem-1955	116	49	a	a	NOUN
eurjchem-1955	116	50	)	)	PUNCT
eurjchem-1955	116	51	docked	docked	ADJ
eurjchem-1955	116	52	view	view	NOUN
eurjchem-1955	116	53	of	of	ADP
eurjchem-1955	116	54	compound	compound	NOUN
eurjchem-1955	116	55	24	24	NUM
eurjchem-1955	116	56	with	with	ADP
eurjchem-1955	116	57	the	the	DET
eurjchem-1955	116	58	active	active	ADJ
eurjchem-1955	116	59	site	site	NOUN
eurjchem-1955	116	60	of	of	ADP
eurjchem-1955	116	61	the	the	DET
eurjchem-1955	116	62	target	target	NOUN
eurjchem-1955	116	63	3ig0	3ig0	NUM
eurjchem-1955	116	64	.	.	PUNCT
eurjchem-1955	117	1	(	(	PUNCT
eurjchem-1955	117	2	b	b	X
eurjchem-1955	117	3	)	)	PUNCT
eurjchem-1955	117	4	hydrogen	hydrogen	NOUN
eurjchem-1955	117	5	bond	bond	NOUN
eurjchem-1955	117	6	(	(	PUNCT
eurjchem-1955	117	7	green	green	ADJ
eurjchem-1955	117	8	)	)	PUNCT
eurjchem-1955	117	9	and	and	CCONJ
eurjchem-1955	117	10	hydrophobic	hydrophobic	NOUN
eurjchem-1955	117	11	interactions	interaction	NOUN
eurjchem-1955	117	12	of	of	ADP
eurjchem-1955	117	13	compound	compound	NOUN
eurjchem-1955	117	14	24	24	NUM
eurjchem-1955	117	15	with	with	ADP
eurjchem-1955	117	16	the	the	DET
eurjchem-1955	117	17	active	active	ADJ
eurjchem-1955	117	18	site	site	NOUN
eurjchem-1955	117	19	of	of	ADP
eurjchem-1955	117	20	target	target	NOUN
eurjchem-1955	117	21	3ig0	3ig0	NUM
eurjchem-1955	117	22	from	from	ADP
eurjchem-1955	117	23	discovery	discovery	NOUN
eurjchem-1955	117	24	studio	studio	NOUN
eurjchem-1955	117	25	viewer	viewer	NOUN
eurjchem-1955	117	26	.	.	PUNCT
eurjchem-1955	118	1	(	(	PUNCT
eurjchem-1955	118	2	c	c	X
eurjchem-1955	118	3	)	)	PUNCT
eurjchem-1955	118	4	hydrogen	hydrogen	NOUN
eurjchem-1955	118	5	bond	bond	NOUN
eurjchem-1955	118	6	(	(	PUNCT
eurjchem-1955	118	7	blue	blue	ADJ
eurjchem-1955	118	8	lines	line	NOUN
eurjchem-1955	118	9	)	)	PUNCT
eurjchem-1955	118	10	and	and	CCONJ
eurjchem-1955	118	11	steric	steric	ADJ
eurjchem-1955	118	12	interactions	interaction	NOUN
eurjchem-1955	118	13	(	(	PUNCT
eurjchem-1955	118	14	brown	brown	ADJ
eurjchem-1955	118	15	lines	line	NOUN
eurjchem-1955	118	16	)	)	PUNCT
eurjchem-1955	118	17	of	of	ADP
eurjchem-1955	118	18	compound	compound	NOUN
eurjchem-1955	118	19	24	24	NUM
eurjchem-1955	118	20	with	with	ADP
eurjchem-1955	118	21	the	the	DET
eurjchem-1955	118	22	active	active	ADJ
eurjchem-1955	118	23	site	site	NOUN
eurjchem-1955	118	24	of	of	ADP
eurjchem-1955	118	25	target	target	NOUN
eurjchem-1955	118	26	3ig0	3ig0	NUM
eurjchem-1955	118	27	from	from	ADP
eurjchem-1955	118	28	molegro	molegro	ADJ
eurjchem-1955	118	29	virtual	virtual	ADJ
eurjchem-1955	118	30	viewer	viewer	NOUN
eurjchem-1955	118	31	.	.	PUNCT
eurjchem-1955	119	1	figure	figure	NOUN
eurjchem-1955	119	2	2	2	NUM
eurjchem-1955	120	1	.	.	NUM
eurjchem-1955	120	2	3d	3d	NOUN
eurjchem-1955	120	3	and	and	CCONJ
eurjchem-1955	120	4	2d	2d	NOUN
eurjchem-1955	121	1	binding	bind	VERB
eurjchem-1955	121	2	pose	pose	VERB
eurjchem-1955	121	3	in	in	ADP
eurjchem-1955	121	4	complex	complex	ADJ
eurjchem-1955	121	5	24	24	NUM
eurjchem-1955	121	6	.	.	PUNCT
eurjchem-1955	122	1	(	(	PUNCT
eurjchem-1955	122	2	a	a	X
eurjchem-1955	122	3	)	)	PUNCT
eurjchem-1955	122	4	docked	docked	ADJ
eurjchem-1955	122	5	view	view	NOUN
eurjchem-1955	122	6	of	of	ADP
eurjchem-1955	122	7	compound	compound	NOUN
eurjchem-1955	122	8	25	25	NUM
eurjchem-1955	122	9	with	with	ADP
eurjchem-1955	122	10	the	the	DET
eurjchem-1955	122	11	active	active	ADJ
eurjchem-1955	122	12	site	site	NOUN
eurjchem-1955	122	13	of	of	ADP
eurjchem-1955	122	14	the	the	DET
eurjchem-1955	122	15	target	target	NOUN
eurjchem-1955	122	16	3ig0	3ig0	NUM
eurjchem-1955	122	17	.	.	PUNCT
eurjchem-1955	123	1	(	(	PUNCT
eurjchem-1955	123	2	b	b	X
eurjchem-1955	123	3	)	)	PUNCT
eurjchem-1955	123	4	hydrogen	hydrogen	NOUN
eurjchem-1955	123	5	bond	bond	NOUN
eurjchem-1955	123	6	(	(	PUNCT
eurjchem-1955	123	7	green	green	ADJ
eurjchem-1955	123	8	)	)	PUNCT
eurjchem-1955	123	9	and	and	CCONJ
eurjchem-1955	123	10	hydrophobic	hydrophobic	NOUN
eurjchem-1955	123	11	interactions	interaction	NOUN
eurjchem-1955	123	12	of	of	ADP
eurjchem-1955	123	13	compound	compound	NOUN
eurjchem-1955	123	14	25	25	NUM
eurjchem-1955	123	15	with	with	ADP
eurjchem-1955	123	16	the	the	DET
eurjchem-1955	123	17	active	active	ADJ
eurjchem-1955	123	18	site	site	NOUN
eurjchem-1955	123	19	of	of	ADP
eurjchem-1955	123	20	target	target	NOUN
eurjchem-1955	123	21	3ig0	3ig0	NUM
eurjchem-1955	123	22	from	from	ADP
eurjchem-1955	123	23	discovery	discovery	NOUN
eurjchem-1955	123	24	studio	studio	NOUN
eurjchem-1955	123	25	viewer	viewer	NOUN
eurjchem-1955	123	26	.	.	PUNCT
eurjchem-1955	124	1	(	(	PUNCT
eurjchem-1955	124	2	c	c	X
eurjchem-1955	124	3	)	)	PUNCT
eurjchem-1955	124	4	hydrogen	hydrogen	NOUN
eurjchem-1955	124	5	bond	bond	NOUN
eurjchem-1955	124	6	(	(	PUNCT
eurjchem-1955	124	7	blue	blue	ADJ
eurjchem-1955	124	8	lines	line	NOUN
eurjchem-1955	124	9	)	)	PUNCT
eurjchem-1955	124	10	and	and	CCONJ
eurjchem-1955	124	11	steric	steric	ADJ
eurjchem-1955	124	12	interactions	interaction	NOUN
eurjchem-1955	124	13	(	(	PUNCT
eurjchem-1955	124	14	brown	brown	ADJ
eurjchem-1955	124	15	lines	line	NOUN
eurjchem-1955	124	16	)	)	PUNCT
eurjchem-1955	124	17	of	of	ADP
eurjchem-1955	124	18	compound	compound	NOUN
eurjchem-1955	124	19	25	25	NUM
eurjchem-1955	124	20	with	with	ADP
eurjchem-1955	124	21	the	the	DET
eurjchem-1955	124	22	active	active	ADJ
eurjchem-1955	124	23	site	site	NOUN
eurjchem-1955	124	24	of	of	ADP
eurjchem-1955	124	25	target	target	NOUN
eurjchem-1955	124	26	3ig0	3ig0	NUM
eurjchem-1955	124	27	from	from	ADP
eurjchem-1955	124	28	molegro	molegro	ADJ
eurjchem-1955	124	29	virtual	virtual	ADJ
eurjchem-1955	124	30	viewer	viewer	NOUN
eurjchem-1955	124	31	.	.	PUNCT
eurjchem-1955	125	1	figure	figure	NOUN
eurjchem-1955	125	2	3	3	NUM
eurjchem-1955	125	3	.	.	X
eurjchem-1955	125	4	3d	3d	NOUN
eurjchem-1955	125	5	and	and	CCONJ
eurjchem-1955	125	6	2d	2d	NOUN
eurjchem-1955	125	7	binding	bind	VERB
eurjchem-1955	125	8	pose	pose	VERB
eurjchem-1955	125	9	in	in	ADP
eurjchem-1955	125	10	complex	complex	ADJ
eurjchem-1955	125	11	25	25	NUM
eurjchem-1955	125	12	.	.	PUNCT
eurjchem-1955	125	13	2020	2020	NUM
eurjchem-1955	125	14	–	–	PUNCT
eurjchem-1955	125	15	european	european	ADJ
eurjchem-1955	125	16	journal	journal	NOUN
eurjchem-1955	125	17	of	of	ADP
eurjchem-1955	125	18	chemistry	chemistry	NOUN
eurjchem-1955	125	19	–	–	PUNCT
eurjchem-1955	125	20	cc	cc	NOUN
eurjchem-1955	125	21	by	by	ADP
eurjchem-1955	125	22	nc	nc	PROPN
eurjchem-1955	125	23	–	–	PUNCT
eurjchem-1955	125	24	doi	doi	NOUN
eurjchem-1955	125	25	:	:	PUNCT
eurjchem-1955	125	26	10.5155	10.5155	NUM
eurjchem-1955	125	27	/	/	SYM
eurjchem-1955	125	28	eurjchem.11.1.30	eurjchem.11.1.30	NOUN
eurjchem-1955	125	29	-	-	PUNCT
eurjchem-1955	125	30	36.1950	36.1950	NUM
eurjchem-1955	125	31	abdullahi	abdullahi	NOUN
eurjchem-1955	125	32	et	et	PROPN
eurjchem-1955	125	33	al	al	PROPN
eurjchem-1955	125	34	.	.	PUNCT
eurjchem-1955	125	35	/	/	SYM
eurjchem-1955	125	36	european	european	PROPN
eurjchem-1955	125	37	journal	journal	PROPN
eurjchem-1955	125	38	of	of	ADP
eurjchem-1955	125	39	chemistry	chemistry	NOUN
eurjchem-1955	125	40	11	11	NUM
eurjchem-1955	125	41	(	(	PUNCT
eurjchem-1955	125	42	1	1	NUM
eurjchem-1955	125	43	)	)	PUNCT
eurjchem-1955	125	44	(	(	PUNCT
eurjchem-1955	125	45	2020	2020	NUM
eurjchem-1955	125	46	)	)	PUNCT
eurjchem-1955	125	47	30	30	NUM
eurjchem-1955	125	48	-	-	SYM
eurjchem-1955	125	49	36	36	NUM
eurjchem-1955	125	50	35	35	NUM
eurjchem-1955	125	51	(	(	PUNCT
eurjchem-1955	125	52	a	a	NOUN
eurjchem-1955	125	53	)	)	PUNCT
eurjchem-1955	125	54	docked	docked	ADJ
eurjchem-1955	125	55	view	view	NOUN
eurjchem-1955	125	56	of	of	ADP
eurjchem-1955	125	57	compound	compound	NOUN
eurjchem-1955	125	58	33	33	NUM
eurjchem-1955	125	59	with	with	ADP
eurjchem-1955	125	60	the	the	DET
eurjchem-1955	125	61	active	active	ADJ
eurjchem-1955	125	62	site	site	NOUN
eurjchem-1955	125	63	of	of	ADP
eurjchem-1955	125	64	the	the	DET
eurjchem-1955	125	65	target	target	NOUN
eurjchem-1955	125	66	3ig0	3ig0	NUM
eurjchem-1955	125	67	.	.	PUNCT
eurjchem-1955	126	1	(	(	PUNCT
eurjchem-1955	126	2	b	b	X
eurjchem-1955	126	3	)	)	PUNCT
eurjchem-1955	126	4	hydrogen	hydrogen	NOUN
eurjchem-1955	126	5	bond	bond	NOUN
eurjchem-1955	126	6	(	(	PUNCT
eurjchem-1955	126	7	green	green	ADJ
eurjchem-1955	126	8	)	)	PUNCT
eurjchem-1955	126	9	and	and	CCONJ
eurjchem-1955	126	10	hydrophobic	hydrophobic	NOUN
eurjchem-1955	126	11	interactions	interaction	NOUN
eurjchem-1955	126	12	of	of	ADP
eurjchem-1955	126	13	compound	compound	NOUN
eurjchem-1955	126	14	33	33	NUM
eurjchem-1955	126	15	with	with	ADP
eurjchem-1955	126	16	the	the	DET
eurjchem-1955	126	17	active	active	ADJ
eurjchem-1955	126	18	site	site	NOUN
eurjchem-1955	126	19	of	of	ADP
eurjchem-1955	126	20	target	target	NOUN
eurjchem-1955	126	21	3ig0	3ig0	NUM
eurjchem-1955	126	22	from	from	ADP
eurjchem-1955	126	23	discovery	discovery	NOUN
eurjchem-1955	126	24	studio	studio	NOUN
eurjchem-1955	126	25	viewer	viewer	NOUN
eurjchem-1955	126	26	.	.	PUNCT
eurjchem-1955	127	1	(	(	PUNCT
eurjchem-1955	127	2	c	c	X
eurjchem-1955	127	3	)	)	PUNCT
eurjchem-1955	127	4	hydrogen	hydrogen	NOUN
eurjchem-1955	127	5	bond	bond	NOUN
eurjchem-1955	127	6	(	(	PUNCT
eurjchem-1955	127	7	blue	blue	ADJ
eurjchem-1955	127	8	lines	line	NOUN
eurjchem-1955	127	9	)	)	PUNCT
eurjchem-1955	127	10	and	and	CCONJ
eurjchem-1955	127	11	steric	steric	ADJ
eurjchem-1955	127	12	interactions	interaction	NOUN
eurjchem-1955	127	13	(	(	PUNCT
eurjchem-1955	127	14	brown	brown	ADJ
eurjchem-1955	127	15	lines	line	NOUN
eurjchem-1955	127	16	)	)	PUNCT
eurjchem-1955	127	17	of	of	ADP
eurjchem-1955	127	18	compound	compound	NOUN
eurjchem-1955	127	19	33	33	NUM
eurjchem-1955	127	20	with	with	ADP
eurjchem-1955	127	21	the	the	DET
eurjchem-1955	127	22	active	active	ADJ
eurjchem-1955	127	23	site	site	NOUN
eurjchem-1955	127	24	of	of	ADP
eurjchem-1955	127	25	target	target	NOUN
eurjchem-1955	127	26	3ig0	3ig0	NUM
eurjchem-1955	127	27	from	from	ADP
eurjchem-1955	127	28	molegro	molegro	ADJ
eurjchem-1955	127	29	virtual	virtual	ADJ
eurjchem-1955	127	30	viewer	viewer	NOUN
eurjchem-1955	127	31	.	.	PUNCT
eurjchem-1955	128	1	figure	figure	NOUN
eurjchem-1955	128	2	4	4	NUM
eurjchem-1955	128	3	.	.	X
eurjchem-1955	129	1	3d	3d	NOUN
eurjchem-1955	129	2	and	and	CCONJ
eurjchem-1955	129	3	2d	2d	NOUN
eurjchem-1955	129	4	binding	bind	VERB
eurjchem-1955	129	5	pose	pose	VERB
eurjchem-1955	129	6	in	in	ADP
eurjchem-1955	129	7	complex	complex	ADJ
eurjchem-1955	129	8	33	33	NUM
eurjchem-1955	129	9	.	.	PUNCT
eurjchem-1955	130	1	(	(	PUNCT
eurjchem-1955	130	2	a	a	X
eurjchem-1955	130	3	)	)	PUNCT
eurjchem-1955	130	4	docked	docked	ADJ
eurjchem-1955	130	5	view	view	NOUN
eurjchem-1955	130	6	of	of	ADP
eurjchem-1955	130	7	compound	compound	NOUN
eurjchem-1955	130	8	35	35	NUM
eurjchem-1955	130	9	with	with	ADP
eurjchem-1955	130	10	the	the	DET
eurjchem-1955	130	11	active	active	ADJ
eurjchem-1955	130	12	site	site	NOUN
eurjchem-1955	130	13	of	of	ADP
eurjchem-1955	130	14	the	the	DET
eurjchem-1955	130	15	target	target	NOUN
eurjchem-1955	130	16	3ig0	3ig0	NUM
eurjchem-1955	130	17	.	.	PUNCT
eurjchem-1955	131	1	(	(	PUNCT
eurjchem-1955	131	2	b	b	X
eurjchem-1955	131	3	)	)	PUNCT
eurjchem-1955	131	4	hydrogen	hydrogen	NOUN
eurjchem-1955	131	5	bond	bond	NOUN
eurjchem-1955	131	6	(	(	PUNCT
eurjchem-1955	131	7	green	green	ADJ
eurjchem-1955	131	8	)	)	PUNCT
eurjchem-1955	131	9	and	and	CCONJ
eurjchem-1955	131	10	hydrophobic	hydrophobic	NOUN
eurjchem-1955	131	11	interactions	interaction	NOUN
eurjchem-1955	131	12	of	of	ADP
eurjchem-1955	131	13	compound	compound	NOUN
eurjchem-1955	131	14	35	35	NUM
eurjchem-1955	131	15	with	with	ADP
eurjchem-1955	131	16	the	the	DET
eurjchem-1955	131	17	active	active	ADJ
eurjchem-1955	131	18	site	site	NOUN
eurjchem-1955	131	19	of	of	ADP
eurjchem-1955	131	20	target	target	NOUN
eurjchem-1955	131	21	3ig0	3ig0	NUM
eurjchem-1955	131	22	from	from	ADP
eurjchem-1955	131	23	discovery	discovery	NOUN
eurjchem-1955	131	24	studio	studio	NOUN
eurjchem-1955	131	25	viewer	viewer	NOUN
eurjchem-1955	131	26	.	.	PUNCT
eurjchem-1955	132	1	(	(	PUNCT
eurjchem-1955	132	2	c	c	X
eurjchem-1955	132	3	)	)	PUNCT
eurjchem-1955	132	4	hydrogen	hydrogen	NOUN
eurjchem-1955	132	5	bond	bond	NOUN
eurjchem-1955	132	6	(	(	PUNCT
eurjchem-1955	132	7	blue	blue	ADJ
eurjchem-1955	132	8	lines	line	NOUN
eurjchem-1955	132	9	)	)	PUNCT
eurjchem-1955	132	10	and	and	CCONJ
eurjchem-1955	132	11	steric	steric	ADJ
eurjchem-1955	132	12	interactions	interaction	NOUN
eurjchem-1955	132	13	(	(	PUNCT
eurjchem-1955	132	14	brown	brown	ADJ
eurjchem-1955	132	15	lines	line	NOUN
eurjchem-1955	132	16	)	)	PUNCT
eurjchem-1955	132	17	of	of	ADP
eurjchem-1955	132	18	compound	compound	NOUN
eurjchem-1955	132	19	35	35	NUM
eurjchem-1955	132	20	with	with	ADP
eurjchem-1955	132	21	the	the	DET
eurjchem-1955	132	22	active	active	ADJ
eurjchem-1955	132	23	site	site	NOUN
eurjchem-1955	132	24	of	of	ADP
eurjchem-1955	132	25	target	target	NOUN
eurjchem-1955	132	26	3ig0	3ig0	NUM
eurjchem-1955	132	27	from	from	ADP
eurjchem-1955	132	28	molegro	molegro	ADJ
eurjchem-1955	132	29	virtual	virtual	ADJ
eurjchem-1955	132	30	viewer	viewer	NOUN
eurjchem-1955	132	31	.	.	PUNCT
eurjchem-1955	133	1	figure	figure	NOUN
eurjchem-1955	133	2	5	5	NUM
eurjchem-1955	133	3	.	.	X
eurjchem-1955	134	1	3d	3d	NUM
eurjchem-1955	134	2	and	and	CCONJ
eurjchem-1955	134	3	2d	2d	NOUN
eurjchem-1955	134	4	binding	bind	VERB
eurjchem-1955	134	5	pose	pose	VERB
eurjchem-1955	134	6	in	in	ADP
eurjchem-1955	134	7	complex	complex	ADJ
eurjchem-1955	134	8	35	35	NUM
eurjchem-1955	134	9	.	.	PUNCT
eurjchem-1955	134	10	2020	2020	NUM
eurjchem-1955	134	11	–	–	PUNCT
eurjchem-1955	134	12	european	european	ADJ
eurjchem-1955	134	13	journal	journal	NOUN
eurjchem-1955	134	14	of	of	ADP
eurjchem-1955	134	15	chemistry	chemistry	NOUN
eurjchem-1955	134	16	–	–	PUNCT
eurjchem-1955	134	17	cc	cc	NOUN
eurjchem-1955	134	18	by	by	ADP
eurjchem-1955	134	19	nc	nc	PROPN
eurjchem-1955	134	20	–	–	PUNCT
eurjchem-1955	134	21	doi	doi	NOUN
eurjchem-1955	134	22	:	:	PUNCT
eurjchem-1955	134	23	10.5155	10.5155	NUM
eurjchem-1955	134	24	/	/	SYM
eurjchem-1955	134	25	eurjchem.11.1.30	eurjchem.11.1.30	NOUN
eurjchem-1955	134	26	-	-	NOUN
eurjchem-1955	134	27	36.1950	36.1950	NUM
eurjchem-1955	134	28	36	36	NUM
eurjchem-1955	134	29	abdullahi	abdullahi	NUM
eurjchem-1955	134	30	et	et	PROPN
eurjchem-1955	134	31	al	al	PROPN
eurjchem-1955	134	32	.	.	PUNCT
eurjchem-1955	134	33	/	/	SYM
eurjchem-1955	134	34	european	european	PROPN
eurjchem-1955	134	35	journal	journal	PROPN
eurjchem-1955	134	36	of	of	ADP
eurjchem-1955	134	37	chemistry	chemistry	NOUN
eurjchem-1955	134	38	11	11	NUM
eurjchem-1955	134	39	(	(	PUNCT
eurjchem-1955	134	40	1	1	NUM
eurjchem-1955	134	41	)	)	PUNCT
eurjchem-1955	134	42	(	(	PUNCT
eurjchem-1955	134	43	2020	2020	NUM
eurjchem-1955	134	44	)	)	PUNCT
eurjchem-1955	134	45	30	30	NUM
eurjchem-1955	134	46	-	-	SYM
eurjchem-1955	134	47	36	36	NUM
eurjchem-1955	134	48	table	table	NOUN
eurjchem-1955	134	49	3	3	NUM
eurjchem-1955	134	50	.	.	PUNCT
eurjchem-1955	134	51	residual	residual	ADJ
eurjchem-1955	134	52	interactions	interaction	NOUN
eurjchem-1955	134	53	of	of	ADP
eurjchem-1955	134	54	the	the	DET
eurjchem-1955	134	55	best	good	ADJ
eurjchem-1955	134	56	pose	pose	NOUN
eurjchem-1955	134	57	.	.	PUNCT
eurjchem-1955	135	1	complex	complex	ADJ
eurjchem-1955	135	2	h	h	NOUN
eurjchem-1955	135	3	-	-	PUNCT
eurjchem-1955	135	4	bond	bond	NOUN
eurjchem-1955	135	5	energy	energy	NOUN
eurjchem-1955	135	6	(	(	PUNCT
eurjchem-1955	135	7	kcal	kcal	NOUN
eurjchem-1955	135	8	/	/	SYM
eurjchem-1955	135	9	mol	mol	NOUN
eurjchem-1955	135	10	)	)	PUNCT
eurjchem-1955	135	11	h	h	NOUN
eurjchem-1955	135	12	-	-	PUNCT
eurjchem-1955	135	13	bond	bond	NOUN
eurjchem-1955	135	14	interactions	interaction	NOUN
eurjchem-1955	135	15	hydrophobic	hydrophobic	NOUN
eurjchem-1955	135	16	interactions	interaction	NOUN
eurjchem-1955	135	17	other	other	ADJ
eurjchem-1955	135	18	interactions	interaction	NOUN
eurjchem-1955	135	19	(	(	PUNCT
eurjchem-1955	135	20	steric	steric	ADJ
eurjchem-1955	135	21	and	and	CCONJ
eurjchem-1955	135	22	electrostatic	electrostatic	ADJ
eurjchem-1955	135	23	)	)	PUNCT
eurjchem-1955	135	24	5	5	NUM
eurjchem-1955	135	25	-5.144	-5.144	X
eurjchem-1955	135	26	gln	gln	PROPN
eurjchem-1955	135	27	538	538	NUM
eurjchem-1955	135	28	,	,	PUNCT
eurjchem-1955	135	29	ala	ala	PROPN
eurjchem-1955	135	30	531	531	NUM
eurjchem-1955	135	31	,	,	PUNCT
eurjchem-1955	135	32	ala	ala	PROPN
eurjchem-1955	135	33	533	533	NUM
eurjchem-1955	135	34	pro	pro	X
eurjchem-1955	135	35	566	566	NUM
eurjchem-1955	135	36	,	,	PUNCT
eurjchem-1955	135	37	leu	leu	PROPN
eurjchem-1955	135	38	613	613	NUM
eurjchem-1955	135	39	,	,	PUNCT
eurjchem-1955	135	40	met	meet	VERB
eurjchem-1955	135	41	616	616	NUM
eurjchem-1955	135	42	,	,	PUNCT
eurjchem-1955	135	43	try	try	VERB
eurjchem-1955	135	44	610	610	NUM
eurjchem-1955	135	45	,	,	PUNCT
eurjchem-1955	135	46	ala	ala	PROPN
eurjchem-1955	135	47	533	533	NUM
eurjchem-1955	135	48	,	,	PUNCT
eurjchem-1955	135	49	ala	ala	PROPN
eurjchem-1955	135	50	531	531	NUM
eurjchem-1955	135	51	arg	arg	NOUN
eurjchem-1955	135	52	634	634	NUM
eurjchem-1955	135	53	,	,	PUNCT
eurjchem-1955	135	54	ala	ala	PROPN
eurjchem-1955	135	55	533	533	NUM
eurjchem-1955	135	56	,	,	PUNCT
eurjchem-1955	135	57	ala	ala	PROPN
eurjchem-1955	135	58	564	564	NUM
eurjchem-1955	135	59	,	,	PUNCT
eurjchem-1955	135	60	ala	ala	PROPN
eurjchem-1955	135	61	531	531	NUM
eurjchem-1955	135	62	,	,	PUNCT
eurjchem-1955	135	63	ala	ala	PROPN
eurjchem-1955	135	64	533	533	NUM
eurjchem-1955	135	65	,	,	PUNCT
eurjchem-1955	135	66	pro	pro	ADJ
eurjchem-1955	135	67	566	566	NUM
eurjchem-1955	135	68	,	,	PUNCT
eurjchem-1955	135	69	met	meet	VERB
eurjchem-1955	135	70	616	616	NUM
eurjchem-1955	135	71	,	,	PUNCT
eurjchem-1955	135	72	try	try	VERB
eurjchem-1955	135	73	610	610	NUM
eurjchem-1955	135	74	,	,	PUNCT
eurjchem-1955	135	75	pro	pro	X
eurjchem-1955	135	76	567	567	NUM
eurjchem-1955	135	77	,	,	PUNCT
eurjchem-1955	135	78	gly	gly	NOUN
eurjchem-1955	135	79	612	612	NUM
eurjchem-1955	135	80	24	24	NUM
eurjchem-1955	135	81	-1.6102	-1.6102	X
eurjchem-1955	135	82	ala	ala	PROPN
eurjchem-1955	135	83	533	533	NUM
eurjchem-1955	135	84	,	,	PUNCT
eurjchem-1955	135	85	asp	asp	PROPN
eurjchem-1955	135	86	534	534	NUM
eurjchem-1955	135	87	leu	leu	PROPN
eurjchem-1955	135	88	613	613	NUM
eurjchem-1955	135	89	,	,	PUNCT
eurjchem-1955	135	90	met	meet	VERB
eurjchem-1955	135	91	616	616	NUM
eurjchem-1955	135	92	,	,	PUNCT
eurjchem-1955	135	93	pro	pro	X
eurjchem-1955	135	94	566	566	NUM
eurjchem-1955	135	95	,	,	PUNCT
eurjchem-1955	135	96	leu	leu	PROPN
eurjchem-1955	135	97	568,arg	568,arg	NUM
eurjchem-1955	135	98	609	609	NUM
eurjchem-1955	135	99	,	,	PUNCT
eurjchem-1955	135	100	val	val	NOUN
eurjchem-1955	135	101	535	535	NUM
eurjchem-1955	135	102	pro	pro	X
eurjchem-1955	135	103	567	567	NUM
eurjchem-1955	135	104	,	,	PUNCT
eurjchem-1955	135	105	asp	asp	PROPN
eurjchem-1955	135	106	532	532	NUM
eurjchem-1955	135	107	,	,	PUNCT
eurjchem-1955	135	108	try	try	VERB
eurjchem-1955	135	109	610	610	NUM
eurjchem-1955	135	110	,	,	PUNCT
eurjchem-1955	135	111	leu	leu	PROPN
eurjchem-1955	135	112	568	568	NUM
eurjchem-1955	135	113	,	,	PUNCT
eurjchem-1955	135	114	asp	asp	PROPN
eurjchem-1955	135	115	534	534	NUM
eurjchem-1955	135	116	25	25	NUM
eurjchem-1955	135	117	0	0	NUM
eurjchem-1955	135	118	met	meet	VERB
eurjchem-1955	135	119	616	616	NUM
eurjchem-1955	135	120	,	,	PUNCT
eurjchem-1955	135	121	leu	leu	PROPN
eurjchem-1955	135	122	568	568	NUM
eurjchem-1955	135	123	,	,	PUNCT
eurjchem-1955	135	124	try	try	VERB
eurjchem-1955	135	125	610	610	NUM
eurjchem-1955	135	126	,	,	PUNCT
eurjchem-1955	135	127	leu	leu	PROPN
eurjchem-1955	135	128	613	613	NUM
eurjchem-1955	135	129	,	,	PUNCT
eurjchem-1955	135	130	ala	ala	PROPN
eurjchem-1955	135	131	533	533	NUM
eurjchem-1955	135	132	,	,	PUNCT
eurjchem-1955	135	133	pro	pro	X
eurjchem-1955	135	134	566	566	NUM
eurjchem-1955	135	135	,	,	PUNCT
eurjchem-1955	135	136	leu	leu	PROPN
eurjchem-1955	135	137	563	563	NUM
eurjchem-1955	135	138	,	,	PUNCT
eurjchem-1955	135	139	leu	leu	PROPN
eurjchem-1955	135	140	529	529	NUM
eurjchem-1955	135	141	,	,	PUNCT
eurjchem-1955	135	142	ala	ala	PROPN
eurjchem-1955	135	143	531	531	NUM
eurjchem-1955	135	144	ala	ala	NOUN
eurjchem-1955	135	145	531	531	NUM
eurjchem-1955	135	146	,	,	PUNCT
eurjchem-1955	135	147	pro	pro	X
eurjchem-1955	135	148	566	566	NUM
eurjchem-1955	135	149	,	,	PUNCT
eurjchem-1955	135	150	pro	pro	X
eurjchem-1955	135	151	567	567	NUM
eurjchem-1955	135	152	,	,	PUNCT
eurjchem-1955	135	153	try	try	VERB
eurjchem-1955	135	154	610	610	NUM
eurjchem-1955	135	155	,	,	PUNCT
eurjchem-1955	135	156	ala	ala	PROPN
eurjchem-1955	135	157	533	533	NUM
eurjchem-1955	135	158	,	,	PUNCT
eurjchem-1955	135	159	gln	gln	PROPN
eurjchem-1955	135	160	565	565	NUM
eurjchem-1955	135	161	33	33	NUM
eurjchem-1955	135	162	-2.83173	-2.83173	NOUN
eurjchem-1955	135	163	pro	pro	X
eurjchem-1955	135	164	566	566	NUM
eurjchem-1955	135	165	,	,	PUNCT
eurjchem-1955	135	166	ala	ala	PROPN
eurjchem-1955	135	167	533	533	NUM
eurjchem-1955	135	168	leu	leu	PROPN
eurjchem-1955	135	169	568	568	NUM
eurjchem-1955	135	170	,	,	PUNCT
eurjchem-1955	135	171	pro	pro	X
eurjchem-1955	135	172	566	566	NUM
eurjchem-1955	135	173	,	,	PUNCT
eurjchem-1955	135	174	ala	ala	PROPN
eurjchem-1955	135	175	533	533	NUM
eurjchem-1955	135	176	arg	arg	NOUN
eurjchem-1955	135	177	634	634	NUM
eurjchem-1955	135	178	,	,	PUNCT
eurjchem-1955	135	179	lys	lys	NOUN
eurjchem-1955	135	180	611	611	NUM
eurjchem-1955	135	181	,	,	PUNCT
eurjchem-1955	135	182	ala	ala	PROPN
eurjchem-1955	135	183	531	531	NUM
eurjchem-1955	135	184	,	,	PUNCT
eurjchem-1955	135	185	pro	pro	X
eurjchem-1955	135	186	567	567	NUM
eurjchem-1955	135	187	,	,	PUNCT
eurjchem-1955	135	188	ala	ala	PROPN
eurjchem-1955	135	189	564	564	NUM
eurjchem-1955	135	190	,	,	PUNCT
eurjchem-1955	135	191	asp	asp	PROPN
eurjchem-1955	135	192	532	532	NUM
eurjchem-1955	135	193	35	35	NUM
eurjchem-1955	135	194	-1.3371	-1.3371	NOUN
eurjchem-1955	135	195	ala	ala	PROPN
eurjchem-1955	135	196	564	564	NUM
eurjchem-1955	135	197	,	,	PUNCT
eurjchem-1955	135	198	arg	arg	VERB
eurjchem-1955	135	199	634	634	NUM
eurjchem-1955	135	200	ala	ala	NOUN
eurjchem-1955	135	201	643	643	NUM
eurjchem-1955	135	202	,	,	PUNCT
eurjchem-1955	135	203	leu	leu	PROPN
eurjchem-1955	135	204	647	647	NUM
eurjchem-1955	135	205	,	,	PUNCT
eurjchem-1955	135	206	ala	ala	PROPN
eurjchem-1955	135	207	531	531	NUM
eurjchem-1955	135	208	,	,	PUNCT
eurjchem-1955	135	209	pro	pro	X
eurjchem-1955	135	210	566	566	NUM
eurjchem-1955	135	211	,	,	PUNCT
eurjchem-1955	135	212	ala	ala	PROPN
eurjchem-1955	135	213	533	533	NUM
eurjchem-1955	135	214	gln	gln	PROPN
eurjchem-1955	135	215	565	565	NUM
eurjchem-1955	135	216	,	,	PUNCT
eurjchem-1955	135	217	ala	ala	PROPN
eurjchem-1955	135	218	564	564	NUM
eurjchem-1955	135	219	,	,	PUNCT
eurjchem-1955	135	220	pro	pro	X
eurjchem-1955	135	221	566	566	NUM
eurjchem-1955	135	222	,	,	PUNCT
eurjchem-1955	135	223	ala	ala	PROPN
eurjchem-1955	135	224	531	531	NUM
eurjchem-1955	135	225	,	,	PUNCT
eurjchem-1955	135	226	ala	ala	PROPN
eurjchem-1955	135	227	533	533	NUM
eurjchem-1955	135	228	,	,	PUNCT
eurjchem-1955	135	229	leu	leu	PROPN
eurjchem-1955	135	230	647	647	NUM
eurjchem-1955	135	231	,	,	PUNCT
eurjchem-1955	135	232	ala	ala	PROPN
eurjchem-1955	135	233	643	643	NUM
eurjchem-1955	135	234	,	,	PUNCT
eurjchem-1955	135	235	ser	ser	NOUN
eurjchem-1955	135	236	541	541	NUM
eurjchem-1955	135	237	4	4	NUM
eurjchem-1955	135	238	.	.	PUNCT
eurjchem-1955	136	1	conclusion	conclusion	NOUN
eurjchem-1955	136	2	the	the	DET
eurjchem-1955	136	3	virtual	virtual	ADJ
eurjchem-1955	136	4	docking	docking	NOUN
eurjchem-1955	136	5	simulation	simulation	NOUN
eurjchem-1955	136	6	approach	approach	NOUN
eurjchem-1955	136	7	employed	employ	VERB
eurjchem-1955	136	8	theoretically	theoretically	ADV
eurjchem-1955	136	9	confirmed	confirm	VERB
eurjchem-1955	136	10	the	the	DET
eurjchem-1955	136	11	potency	potency	NOUN
eurjchem-1955	136	12	of	of	ADP
eurjchem-1955	136	13	the	the	DET
eurjchem-1955	136	14	compounds	compound	NOUN
eurjchem-1955	136	15	with	with	ADP
eurjchem-1955	136	16	the	the	DET
eurjchem-1955	136	17	mtb	mtb	NOUN
eurjchem-1955	136	18	-	-	PUNCT
eurjchem-1955	136	19	dna	dna	NOUN
eurjchem-1955	136	20	gyrase	gyrase	NOUN
eurjchem-1955	136	21	as	as	ADP
eurjchem-1955	136	22	the	the	DET
eurjchem-1955	136	23	molecular	molecular	ADJ
eurjchem-1955	136	24	target	target	NOUN
eurjchem-1955	136	25	.	.	PUNCT
eurjchem-1955	137	1	the	the	DET
eurjchem-1955	137	2	moldock	moldock	NOUN
eurjchem-1955	137	3	which	which	PRON
eurjchem-1955	137	4	is	be	AUX
eurjchem-1955	137	5	a	a	DET
eurjchem-1955	137	6	fast	fast	ADJ
eurjchem-1955	137	7	and	and	CCONJ
eurjchem-1955	137	8	more	more	ADV
eurjchem-1955	137	9	accurate	accurate	ADJ
eurjchem-1955	137	10	scoring	scoring	NOUN
eurjchem-1955	137	11	function	function	NOUN
eurjchem-1955	137	12	was	be	AUX
eurjchem-1955	137	13	used	use	VERB
eurjchem-1955	137	14	followed	follow	VERB
eurjchem-1955	137	15	by	by	ADP
eurjchem-1955	137	16	plants	plant	NOUN
eurjchem-1955	137	17	scoring	score	VERB
eurjchem-1955	137	18	function	function	NOUN
eurjchem-1955	137	19	so	so	SCONJ
eurjchem-1955	137	20	as	as	SCONJ
eurjchem-1955	137	21	to	to	PART
eurjchem-1955	137	22	increase	increase	VERB
eurjchem-1955	137	23	the	the	DET
eurjchem-1955	137	24	accuracy	accuracy	NOUN
eurjchem-1955	137	25	of	of	ADP
eurjchem-1955	137	26	the	the	DET
eurjchem-1955	137	27	docking	docking	NOUN
eurjchem-1955	137	28	operation	operation	NOUN
eurjchem-1955	137	29	.	.	PUNCT
eurjchem-1955	138	1	the	the	DET
eurjchem-1955	138	2	docking	docking	NOUN
eurjchem-1955	138	3	results	result	NOUN
eurjchem-1955	138	4	revealed	reveal	VERB
eurjchem-1955	138	5	a	a	DET
eurjchem-1955	138	6	good	good	ADJ
eurjchem-1955	138	7	moldock	moldock	NOUN
eurjchem-1955	138	8	score	score	NOUN
eurjchem-1955	138	9	(	(	PUNCT
eurjchem-1955	138	10	≥	≥	NOUN
eurjchem-1955	138	11	-90	-90	PUNCT
eurjchem-1955	138	12	kcal	kcal	PROPN
eurjchem-1955	138	13	/	/	SYM
eurjchem-1955	138	14	mol	mol	NOUN
eurjchem-1955	138	15	)	)	PUNCT
eurjchem-1955	138	16	and	and	CCONJ
eurjchem-1955	138	17	plants	plant	VERB
eurjchem-1955	138	18	score	score	NOUN
eurjchem-1955	138	19	(	(	PUNCT
eurjchem-1955	138	20	≥	≥	NOUN
eurjchem-1955	138	21	-60	-60	SYM
eurjchem-1955	138	22	kcal	kcal	PROPN
eurjchem-1955	138	23	/	/	SYM
eurjchem-1955	138	24	mol	mol	NOUN
eurjchem-1955	138	25	)	)	PUNCT
eurjchem-1955	138	26	which	which	PRON
eurjchem-1955	138	27	depicted	depict	VERB
eurjchem-1955	138	28	that	that	SCONJ
eurjchem-1955	138	29	the	the	DET
eurjchem-1955	138	30	ligands	ligand	NOUN
eurjchem-1955	138	31	can	can	AUX
eurjchem-1955	138	32	bind	bind	VERB
eurjchem-1955	138	33	with	with	ADP
eurjchem-1955	138	34	the	the	DET
eurjchem-1955	138	35	active	active	ADJ
eurjchem-1955	138	36	site	site	NOUN
eurjchem-1955	138	37	of	of	ADP
eurjchem-1955	138	38	the	the	DET
eurjchem-1955	138	39	target	target	NOUN
eurjchem-1955	138	40	efficiently	efficiently	ADV
eurjchem-1955	138	41	.	.	PUNCT
eurjchem-1955	139	1	however	however	ADV
eurjchem-1955	139	2	,	,	PUNCT
eurjchem-1955	139	3	the	the	DET
eurjchem-1955	139	4	outcomes	outcome	NOUN
eurjchem-1955	139	5	of	of	ADP
eurjchem-1955	139	6	this	this	DET
eurjchem-1955	139	7	research	research	NOUN
eurjchem-1955	139	8	theoretically	theoretically	ADV
eurjchem-1955	139	9	revealed	reveal	VERB
eurjchem-1955	139	10	the	the	DET
eurjchem-1955	139	11	lead	lead	NOUN
eurjchem-1955	139	12	compounds	compound	NOUN
eurjchem-1955	139	13	,	,	PUNCT
eurjchem-1955	139	14	and	and	CCONJ
eurjchem-1955	139	15	provide	provide	VERB
eurjchem-1955	139	16	a	a	DET
eurjchem-1955	139	17	direction	direction	NOUN
eurjchem-1955	139	18	when	when	SCONJ
eurjchem-1955	139	19	carrying	carry	VERB
eurjchem-1955	139	20	out	out	ADP
eurjchem-1955	139	21	an	an	DET
eurjchem-1955	139	22	insilico	insilico	NOUN
eurjchem-1955	139	23	structure	structure	NOUN
eurjchem-1955	139	24	-	-	PUNCT
eurjchem-1955	139	25	based	base	VERB
eurjchem-1955	139	26	drug	drug	NOUN
eurjchem-1955	139	27	design	design	NOUN
eurjchem-1955	139	28	for	for	ADP
eurjchem-1955	139	29	exploring	explore	VERB
eurjchem-1955	139	30	more	more	ADV
eurjchem-1955	139	31	potent	potent	ADJ
eurjchem-1955	139	32	hypothetical	hypothetical	ADJ
eurjchem-1955	139	33	compounds	compound	NOUN
eurjchem-1955	139	34	.	.	PUNCT
eurjchem-1955	140	1	acknowledgments	acknowledgment	NOUN
eurjchem-1955	140	2	the	the	DET
eurjchem-1955	140	3	authors	author	NOUN
eurjchem-1955	140	4	expressed	express	VERB
eurjchem-1955	140	5	their	their	PRON
eurjchem-1955	140	6	profound	profound	ADJ
eurjchem-1955	140	7	gratitude	gratitude	NOUN
eurjchem-1955	140	8	to	to	ADP
eurjchem-1955	140	9	members	member	NOUN
eurjchem-1955	140	10	of	of	ADP
eurjchem-1955	140	11	staff	staff	NOUN
eurjchem-1955	140	12	in	in	ADP
eurjchem-1955	140	13	the	the	DET
eurjchem-1955	140	14	physical	physical	ADJ
eurjchem-1955	140	15	chemistry	chemistry	NOUN
eurjchem-1955	140	16	unit	unit	NOUN
eurjchem-1955	140	17	,	,	PUNCT
eurjchem-1955	140	18	department	department	NOUN
eurjchem-1955	140	19	of	of	ADP
eurjchem-1955	140	20	chemistry	chemistry	NOUN
eurjchem-1955	140	21	,	,	PUNCT
eurjchem-1955	140	22	ahmadu	ahmadu	PROPN
eurjchem-1955	140	23	bello	bello	PROPN
eurjchem-1955	140	24	university	university	PROPN
eurjchem-1955	140	25	zaria	zaria	PROPN
eurjchem-1955	140	26	for	for	ADP
eurjchem-1955	140	27	their	their	PRON
eurjchem-1955	140	28	technical	technical	ADJ
eurjchem-1955	140	29	assistance	assistance	NOUN
eurjchem-1955	140	30	.	.	PUNCT
eurjchem-1955	141	1	disclosure	disclosure	NOUN
eurjchem-1955	141	2	statement	statement	NOUN
eurjchem-1955	141	3	conflict	conflict	NOUN
eurjchem-1955	141	4	of	of	ADP
eurjchem-1955	141	5	interests	interest	NOUN
eurjchem-1955	141	6	:	:	PUNCT
eurjchem-1955	141	7	the	the	DET
eurjchem-1955	141	8	authors	author	NOUN
eurjchem-1955	141	9	declare	declare	VERB
eurjchem-1955	141	10	that	that	SCONJ
eurjchem-1955	141	11	they	they	PRON
eurjchem-1955	141	12	have	have	VERB
eurjchem-1955	141	13	no	no	DET
eurjchem-1955	141	14	conflict	conflict	NOUN
eurjchem-1955	141	15	of	of	ADP
eurjchem-1955	141	16	interest	interest	NOUN
eurjchem-1955	141	17	.	.	PUNCT
eurjchem-1955	142	1	author	author	NOUN
eurjchem-1955	142	2	contributions	contribution	NOUN
eurjchem-1955	142	3	:	:	PUNCT
eurjchem-1955	142	4	all	all	DET
eurjchem-1955	142	5	authors	author	NOUN
eurjchem-1955	142	6	contributed	contribute	VERB
eurjchem-1955	142	7	equally	equally	ADV
eurjchem-1955	142	8	to	to	ADP
eurjchem-1955	142	9	this	this	DET
eurjchem-1955	142	10	work	work	NOUN
eurjchem-1955	142	11	.	.	PUNCT
eurjchem-1955	143	1	ethical	ethical	ADJ
eurjchem-1955	143	2	approval	approval	NOUN
eurjchem-1955	143	3	:	:	PUNCT
eurjchem-1955	144	1	all	all	DET
eurjchem-1955	144	2	ethical	ethical	ADJ
eurjchem-1955	144	3	guidelines	guideline	NOUN
eurjchem-1955	144	4	have	have	AUX
eurjchem-1955	144	5	been	be	AUX
eurjchem-1955	144	6	adhered	adhere	VERB
eurjchem-1955	144	7	.	.	PUNCT
eurjchem-1955	145	1	sample	sample	NOUN
eurjchem-1955	145	2	availability	availability	NOUN
eurjchem-1955	145	3	:	:	PUNCT
eurjchem-1955	145	4	samples	sample	NOUN
eurjchem-1955	145	5	of	of	ADP
eurjchem-1955	145	6	the	the	DET
eurjchem-1955	145	7	compounds	compound	NOUN
eurjchem-1955	145	8	are	be	AUX
eurjchem-1955	145	9	available	available	ADJ
eurjchem-1955	145	10	from	from	ADP
eurjchem-1955	145	11	the	the	DET
eurjchem-1955	145	12	author	author	NOUN
eurjchem-1955	145	13	.	.	PUNCT
eurjchem-1955	146	1	orcid	orcid	PROPN
eurjchem-1955	146	2	mustapha	mustapha	PROPN
eurjchem-1955	146	3	abdullahi	abdullahi	PROPN
eurjchem-1955	146	4	http://orcid.org/0000-0002-8533-6245	http://orcid.org/0000-0002-8533-6245	PROPN
eurjchem-1955	146	5	adamu	adamu	PROPN
eurjchem-1955	146	6	uzairu	uzairu	PROPN
eurjchem-1955	146	7	http://orcid.org/0000-0002-6973-6361	http://orcid.org/0000-0002-6973-6361	PROPN
eurjchem-1955	146	8	gideon	gideon	PROPN
eurjchem-1955	146	9	adamu	adamu	PROPN
eurjchem-1955	146	10	shallangwa	shallangwa	PROPN
eurjchem-1955	146	11	http://orcid.org/0000-0002-0700-9898	http://orcid.org/0000-0002-0700-9898	PROPN
eurjchem-1955	146	12	david	david	PROPN
eurjchem-1955	146	13	ebuka	ebuka	PROPN
eurjchem-1955	146	14	arthur	arthur	PROPN
eurjchem-1955	146	15	http://orcid.org/0000-0001-8564-868x	http://orcid.org/0000-0001-8564-868x	PROPN
eurjchem-1955	146	16	bello	bello	PROPN
eurjchem-1955	146	17	abdullahi	abdullahi	PROPN
eurjchem-1955	146	18	umar	umar	PROPN
eurjchem-1955	146	19	http://orcid.org/0000-0003-0984-5969	http://orcid.org/0000-0003-0984-5969	PROPN
eurjchem-1955	146	20	muhammad	muhammad	PROPN
eurjchem-1955	146	21	tukur	tukur	PROPN
eurjchem-1955	146	22	ibrahim	ibrahim	PROPN
eurjchem-1955	146	23	http://orcid.org/0000-0002-6146-5667	http://orcid.org/0000-0002-6146-5667	PROPN
eurjchem-1955	146	24	references	reference	NOUN
eurjchem-1955	146	25	[	[	X
eurjchem-1955	146	26	1	1	NUM
eurjchem-1955	146	27	]	]	PUNCT
eurjchem-1955	146	28	.	.	PUNCT
eurjchem-1955	147	1	zhai	zhai	PROPN
eurjchem-1955	147	2	,	,	PUNCT
eurjchem-1955	147	3	w.	w.	PROPN
eurjchem-1955	147	4	;	;	PUNCT
eurjchem-1955	147	5	wu	wu	PROPN
eurjchem-1955	147	6	,	,	PUNCT
eurjchem-1955	147	7	f.	f.	PROPN
eurjchem-1955	147	8	;	;	PUNCT
eurjchem-1955	147	9	zhang	zhang	PROPN
eurjchem-1955	147	10	,	,	PUNCT
eurjchem-1955	147	11	y.	y.	PROPN
eurjchem-1955	147	12	;	;	PUNCT
eurjchem-1955	147	13	fu	fu	PROPN
eurjchem-1955	147	14	,	,	PUNCT
eurjchem-1955	147	15	y.	y.	PROPN
eurjchem-1955	147	16	;	;	PUNCT
eurjchem-1955	147	17	liu	liu	PROPN
eurjchem-1955	147	18	,	,	PUNCT
eurjchem-1955	147	19	z.	z.	PROPN
eurjchem-1955	147	20	int	int	PROPN
eurjchem-1955	147	21	.	.	PUNCT
eurjchem-1955	148	1	j.	j.	PROPN
eurjchem-1955	148	2	mol	mol	PROPN
eurjchem-1955	148	3	.	.	PUNCT
eurjchem-1955	149	1	sci	sci	PROPN
eurjchem-1955	149	2	.	.	PROPN
eurjchem-1955	149	3	2019	2019	NUM
eurjchem-1955	149	4	,	,	PUNCT
eurjchem-1955	149	5	20	20	NUM
eurjchem-1955	149	6	,	,	PUNCT
eurjchem-1955	149	7	340	340	NUM
eurjchem-1955	149	8	,	,	PUNCT
eurjchem-1955	149	9	1	1	NUM
eurjchem-1955	149	10	-	-	SYM
eurjchem-1955	149	11	18	18	NUM
eurjchem-1955	149	12	.	.	PUNCT
eurjchem-1955	150	1	[	[	X
eurjchem-1955	150	2	2	2	NUM
eurjchem-1955	150	3	]	]	PUNCT
eurjchem-1955	150	4	.	.	PUNCT
eurjchem-1955	151	1	mabhula	mabhula	PROPN
eurjchem-1955	151	2	,	,	PUNCT
eurjchem-1955	151	3	a.	a.	NOUN
eurjchem-1955	151	4	;	;	PUNCT
eurjchem-1955	151	5	singh	singh	PROPN
eurjchem-1955	151	6	,	,	PUNCT
eurjchem-1955	151	7	v.	v.	ADP
eurjchem-1955	151	8	med	med	PROPN
eurjchem-1955	151	9	.	.	PUNCT
eurjchem-1955	151	10	chem	chem	PROPN
eurjchem-1955	151	11	.	.	PUNCT
eurjchem-1955	152	1	comm	comm	NOUN
eurjchem-1955	152	2	.	.	PUNCT
eurjchem-1955	153	1	2019	2019	NUM
eurjchem-1955	153	2	,	,	PUNCT
eurjchem-1955	153	3	10	10	NUM
eurjchem-1955	153	4	,	,	PUNCT
eurjchem-1955	153	5	1342	1342	NUM
eurjchem-1955	153	6	-	-	SYM
eurjchem-1955	153	7	1360	1360	NUM
eurjchem-1955	153	8	.	.	PUNCT
eurjchem-1955	154	1	[	[	X
eurjchem-1955	154	2	3	3	NUM
eurjchem-1955	154	3	]	]	PUNCT
eurjchem-1955	154	4	.	.	PUNCT
eurjchem-1955	154	5	ogbuabor	ogbuabor	PROPN
eurjchem-1955	154	6	,	,	PUNCT
eurjchem-1955	154	7	d.	d.	PROPN
eurjchem-1955	154	8	c.	c.	PROPN
eurjchem-1955	154	9	;	;	PUNCT
eurjchem-1955	154	10	onwujekwe	onwujekwe	ADJ
eurjchem-1955	154	11	,	,	PUNCT
eurjchem-1955	154	12	o.	o.	PROPN
eurjchem-1955	154	13	e.	e.	PROPN
eurjchem-1955	154	14	inf	inf	PROPN
eurjchem-1955	154	15	.	.	PUNCT
eurjchem-1955	155	1	dis	dis	PROPN
eurjchem-1955	155	2	.	.	PUNCT
eurjchem-1955	156	1	pov	pov	PROPN
eurjchem-1955	156	2	.	.	PROPN
eurjchem-1955	157	1	2019	2019	NUM
eurjchem-1955	157	2	,	,	PUNCT
eurjchem-1955	157	3	8	8	NUM
eurjchem-1955	157	4	,	,	PUNCT
eurjchem-1955	157	5	1	1	NUM
eurjchem-1955	157	6	-	-	SYM
eurjchem-1955	157	7	11	11	NUM
eurjchem-1955	157	8	.	.	PUNCT
eurjchem-1955	158	1	[	[	X
eurjchem-1955	158	2	4	4	NUM
eurjchem-1955	158	3	]	]	PUNCT
eurjchem-1955	158	4	.	.	PUNCT
eurjchem-1955	159	1	zhaoyang	zhaoyang	PROPN
eurjchem-1955	159	2	,	,	PUNCT
eurjchem-1955	159	3	w.	w.	PROPN
eurjchem-1955	159	4	;	;	PUNCT
eurjchem-1955	159	5	yu	yu	PROPN
eurjchem-1955	159	6	,	,	PUNCT
eurjchem-1955	159	7	l.	l.	PROPN
eurjchem-1955	159	8	;	;	PUNCT
eurjchem-1955	159	9	linhu	linhu	PROPN
eurjchem-1955	159	10	,	,	PUNCT
eurjchem-1955	159	11	l.	l.	PROPN
eurjchem-1955	159	12	;	;	PUNCT
eurjchem-1955	159	13	rui	rui	PROPN
eurjchem-1955	159	14	,	,	PUNCT
eurjchem-1955	159	15	z.	z.	PROPN
eurjchem-1955	159	16	;	;	PUNCT
eurjchem-1955	159	17	bin	bin	PROPN
eurjchem-1955	159	18	,	,	PUNCT
eurjchem-1955	159	19	w.	w.	PROPN
eurjchem-1955	159	20	;	;	PUNCT
eurjchem-1955	159	21	kai	kai	PROPN
eurjchem-1955	159	22	,	,	PUNCT
eurjchem-1955	159	23	l.	l.	PROPN
eurjchem-1955	159	24	;	;	PUNCT
eurjchem-1955	159	25	mingliang	mingliang	PROPN
eurjchem-1955	159	26	,	,	PUNCT
eurjchem-1955	159	27	l.	l.	PROPN
eurjchem-1955	159	28	;	;	PUNCT
eurjchem-1955	159	29	xuefu	xuefu	PROPN
eurjchem-1955	159	30	,	,	PUNCT
eurjchem-1955	159	31	y.	y.	PROPN
eurjchem-1955	159	32	acs	acs	PROPN
eurjchem-1955	159	33	med	med	PROPN
eurjchem-1955	159	34	.	.	PUNCT
eurjchem-1955	160	1	chem	chem	PROPN
eurjchem-1955	160	2	.	.	PUNCT
eurjchem-1955	161	1	lett	lett	PROPN
eurjchem-1955	161	2	.	.	PROPN
eurjchem-1955	162	1	2016	2016	NUM
eurjchem-1955	162	2	,	,	PUNCT
eurjchem-1955	162	3	7(12	7(12	NUM
eurjchem-1955	162	4	)	)	PUNCT
eurjchem-1955	162	5	,	,	PUNCT
eurjchem-1955	162	6	1130	1130	NUM
eurjchem-1955	162	7	-	-	SYM
eurjchem-1955	162	8	1133	1133	NUM
eurjchem-1955	162	9	.	.	PUNCT
eurjchem-1955	163	1	[	[	X
eurjchem-1955	163	2	5	5	NUM
eurjchem-1955	163	3	]	]	PUNCT
eurjchem-1955	163	4	.	.	PUNCT
eurjchem-1955	164	1	lanez	lanez	PROPN
eurjchem-1955	164	2	,	,	PUNCT
eurjchem-1955	164	3	t.	t.	PROPN
eurjchem-1955	164	4	;	;	PUNCT
eurjchem-1955	164	5	lanez	lanez	PROPN
eurjchem-1955	164	6	,	,	PUNCT
eurjchem-1955	164	7	e.	e.	PROPN
eurjchem-1955	164	8	int	int	PROPN
eurjchem-1955	164	9	.	.	PUNCT
eurjchem-1955	165	1	j.	j.	PROPN
eurjchem-1955	165	2	pharmacol	pharmacol	PROPN
eurjchem-1955	165	3	.	.	PUNCT
eurjchem-1955	166	1	phytochem	phytochem	PROPN
eurjchem-1955	166	2	.	.	PUNCT
eurjchem-1955	167	1	ethnomed	ethnomed	PROPN
eurjchem-1955	167	2	.	.	PUNCT
eurjchem-1955	168	1	2016	2016	NUM
eurjchem-1955	168	2	,	,	PUNCT
eurjchem-1955	168	3	2	2	NUM
eurjchem-1955	168	4	,	,	PUNCT
eurjchem-1955	168	5	5	5	NUM
eurjchem-1955	168	6	-	-	SYM
eurjchem-1955	168	7	12	12	NUM
eurjchem-1955	168	8	.	.	PUNCT
eurjchem-1955	169	1	[	[	X
eurjchem-1955	169	2	6	6	NUM
eurjchem-1955	169	3	]	]	PUNCT
eurjchem-1955	169	4	.	.	PUNCT
eurjchem-1955	170	1	abdullahi	abdullahi	PROPN
eurjchem-1955	170	2	,	,	PUNCT
eurjchem-1955	170	3	m.	m.	NOUN
eurjchem-1955	170	4	;	;	PUNCT
eurjchem-1955	170	5	uzairu	uzairu	PROPN
eurjchem-1955	170	6	,	,	PUNCT
eurjchem-1955	170	7	a.	a.	NOUN
eurjchem-1955	170	8	;	;	PUNCT
eurjchem-1955	170	9	shallangwa	shallangwa	PROPN
eurjchem-1955	170	10	,	,	PUNCT
eurjchem-1955	170	11	g.	g.	PROPN
eurjchem-1955	170	12	a.	a.	PROPN
eurjchem-1955	170	13	;	;	PUNCT
eurjchem-1955	170	14	mamza	mamza	NOUN
eurjchem-1955	170	15	,	,	PUNCT
eurjchem-1955	170	16	p.	p.	PROPN
eurjchem-1955	170	17	;	;	PUNCT
eurjchem-1955	170	18	arthur	arthur	PROPN
eurjchem-1955	170	19	,	,	PUNCT
eurjchem-1955	170	20	d.	d.	PROPN
eurjchem-1955	170	21	e.	e.	PROPN
eurjchem-1955	170	22	;	;	PUNCT
eurjchem-1955	170	23	ibrahim	ibrahim	PROPN
eurjchem-1955	170	24	,	,	PUNCT
eurjchem-1955	170	25	m.	m.	NOUN
eurjchem-1955	170	26	t.	t.	PROPN
eurjchem-1955	170	27	j.	j.	PROPN
eurjchem-1955	170	28	king	king	PROPN
eurjchem-1955	170	29	saudi	saudi	PROPN
eurjchem-1955	170	30	uni	uni	PROPN
eurjchem-1955	170	31	.	.	PUNCT
eurjchem-1955	171	1	sci	sci	PROPN
eurjchem-1955	171	2	.	.	PROPN
eurjchem-1955	171	3	2019	2019	NUM
eurjchem-1955	171	4	,	,	PUNCT
eurjchem-1955	171	5	32(1	32(1	NUM
eurjchem-1955	171	6	)	)	PUNCT
eurjchem-1955	171	7	,	,	PUNCT
eurjchem-1955	171	8	770	770	NUM
eurjchem-1955	171	9	-	-	SYM
eurjchem-1955	171	10	779	779	NUM
eurjchem-1955	171	11	.	.	PUNCT
eurjchem-1955	172	1	[	[	X
eurjchem-1955	172	2	7	7	NUM
eurjchem-1955	172	3	]	]	PUNCT
eurjchem-1955	172	4	.	.	PUNCT
eurjchem-1955	172	5	cousins	cousin	NOUN
eurjchem-1955	172	6	,	,	PUNCT
eurjchem-1955	172	7	k.	k.	PROPN
eurjchem-1955	172	8	r.	r.	PROPN
eurjchem-1955	172	9	j.	j.	PROPN
eurjchem-1955	172	10	am	am	PROPN
eurjchem-1955	172	11	.	.	PUNCT
eurjchem-1955	173	1	chem	chem	PROPN
eurjchem-1955	173	2	.	.	PUNCT
eurjchem-1955	174	1	soc	soc	PROPN
eurjchem-1955	174	2	.	.	PUNCT
eurjchem-1955	175	1	2005	2005	NUM
eurjchem-1955	175	2	,	,	PUNCT
eurjchem-1955	175	3	127(11	127(11	NUM
eurjchem-1955	175	4	)	)	PUNCT
eurjchem-1955	175	5	,	,	PUNCT
eurjchem-1955	175	6	4115	4115	NUM
eurjchem-1955	175	7	-	-	SYM
eurjchem-1955	175	8	4116	4116	NUM
eurjchem-1955	175	9	.	.	PUNCT
eurjchem-1955	176	1	[	[	X
eurjchem-1955	176	2	8	8	NUM
eurjchem-1955	176	3	]	]	PUNCT
eurjchem-1955	176	4	.	.	PUNCT
eurjchem-1955	177	1	shao	shao	PROPN
eurjchem-1955	177	2	,	,	PUNCT
eurjchem-1955	177	3	y.	y.	PROPN
eurjchem-1955	177	4	;	;	PUNCT
eurjchem-1955	177	5	molnar	molnar	PROPN
eurjchem-1955	177	6	,	,	PUNCT
eurjchem-1955	177	7	l.	l.	PROPN
eurjchem-1955	177	8	f.	f.	PROPN
eurjchem-1955	177	9	;	;	PUNCT
eurjchem-1955	177	10	jung	jung	PROPN
eurjchem-1955	177	11	,	,	PUNCT
eurjchem-1955	177	12	y.	y.	PROPN
eurjchem-1955	177	13	;	;	PUNCT
eurjchem-1955	177	14	kussmann	kussmann	PROPN
eurjchem-1955	177	15	,	,	PUNCT
eurjchem-1955	177	16	j.	j.	PROPN
eurjchem-1955	177	17	;	;	PUNCT
eurjchem-1955	177	18	ochsenfeld	ochsenfeld	PROPN
eurjchem-1955	177	19	,	,	PUNCT
eurjchem-1955	177	20	c.	c.	PROPN
eurjchem-1955	177	21	;	;	PUNCT
eurjchem-1955	177	22	brown	brown	PROPN
eurjchem-1955	177	23	,	,	PUNCT
eurjchem-1955	177	24	s.	s.	PROPN
eurjchem-1955	177	25	t.	t.	PROPN
eurjchem-1955	177	26	;	;	PUNCT
eurjchem-1955	177	27	gilbert	gilbert	PROPN
eurjchem-1955	177	28	,	,	PUNCT
eurjchem-1955	177	29	a.	a.	PROPN
eurjchem-1955	177	30	t.	t.	PROPN
eurjchem-1955	177	31	b.	b.	PROPN
eurjchem-1955	177	32	;	;	PUNCT
eurjchem-1955	177	33	slipchenko	slipchenko	PROPN
eurjchem-1955	177	34	,	,	PUNCT
eurjchem-1955	177	35	l.	l.	PROPN
eurjchem-1955	177	36	v.	v.	PROPN
eurjchem-1955	177	37	;	;	PUNCT
eurjchem-1955	177	38	levchenko	levchenko	PROPN
eurjchem-1955	177	39	,	,	PUNCT
eurjchem-1955	177	40	s.	s.	PROPN
eurjchem-1955	177	41	v.	v.	PROPN
eurjchem-1955	177	42	;	;	PUNCT
eurjchem-1955	177	43	o'neill	o'neill	PROPN
eurjchem-1955	177	44	,	,	PUNCT
eurjchem-1955	177	45	d.	d.	PROPN
eurjchem-1955	177	46	p.	p.	PROPN
eurjchem-1955	177	47	;	;	PUNCT
eurjchem-1955	177	48	distasio	distasio	PROPN
eurjchem-1955	177	49	,	,	PUNCT
eurjchem-1955	177	50	r.	r.	PROPN
eurjchem-1955	177	51	a.	a.	PROPN
eurjchem-1955	177	52	;	;	PUNCT
eurjchem-1955	177	53	lochan	lochan	PROPN
eurjchem-1955	177	54	,	,	PUNCT
eurjchem-1955	177	55	r.	r.	PROPN
eurjchem-1955	177	56	c.	c.	PROPN
eurjchem-1955	177	57	;	;	PUNCT
eurjchem-1955	177	58	wang	wang	PROPN
eurjchem-1955	177	59	,	,	PUNCT
eurjchem-1955	177	60	t.	t.	PROPN
eurjchem-1955	177	61	;	;	PUNCT
eurjchem-1955	177	62	beran	beran	PROPN
eurjchem-1955	177	63	,	,	PUNCT
eurjchem-1955	177	64	g.	g.	PROPN
eurjchem-1955	177	65	j.	j.	PROPN
eurjchem-1955	177	66	o.	o.	PROPN
eurjchem-1955	177	67	;	;	PUNCT
eurjchem-1955	177	68	besley	besley	NOUN
eurjchem-1955	177	69	,	,	PUNCT
eurjchem-1955	177	70	n.	n.	PROPN
eurjchem-1955	177	71	a.	a.	PROPN
eurjchem-1955	177	72	;	;	PUNCT
eurjchem-1955	177	73	herbert	herbert	PROPN
eurjchem-1955	177	74	,	,	PUNCT
eurjchem-1955	177	75	j.	j.	PROPN
eurjchem-1955	177	76	m.	m.	PROPN
eurjchem-1955	177	77	;	;	PUNCT
eurjchem-1955	177	78	lin	lin	PROPN
eurjchem-1955	177	79	,	,	PUNCT
eurjchem-1955	177	80	c.	c.	PROPN
eurjchem-1955	177	81	y.	y.	PROPN
eurjchem-1955	177	82	;	;	PUNCT
eurjchem-1955	177	83	van	van	PROPN
eurjchem-1955	177	84	voorhis	voorhis	NOUN
eurjchem-1955	177	85	,	,	PUNCT
eurjchem-1955	177	86	t.	t.	PROPN
eurjchem-1955	177	87	;	;	PUNCT
eurjchem-1955	177	88	chien	chien	PROPN
eurjchem-1955	177	89	,	,	PUNCT
eurjchem-1955	177	90	s.	s.	PROPN
eurjchem-1955	177	91	h.	h.	PROPN
eurjchem-1955	177	92	;	;	PUNCT
eurjchem-1955	177	93	sodt	sodt	PROPN
eurjchem-1955	177	94	,	,	PUNCT
eurjchem-1955	177	95	a.	a.	PROPN
eurjchem-1955	177	96	;	;	PUNCT
eurjchem-1955	177	97	steele	steele	PROPN
eurjchem-1955	177	98	,	,	PUNCT
eurjchem-1955	177	99	r.	r.	PROPN
eurjchem-1955	177	100	p.	p.	PROPN
eurjchem-1955	177	101	;	;	PUNCT
eurjchem-1955	177	102	rassolov	rassolov	PROPN
eurjchem-1955	177	103	,	,	PUNCT
eurjchem-1955	177	104	v.	v.	PROPN
eurjchem-1955	177	105	a.	a.	NOUN
eurjchem-1955	177	106	;	;	PUNCT
eurjchem-1955	177	107	maslen	maslen	ADJ
eurjchem-1955	177	108	,	,	PUNCT
eurjchem-1955	177	109	p.	p.	PROPN
eurjchem-1955	177	110	e.	e.	PROPN
eurjchem-1955	177	111	;	;	PUNCT
eurjchem-1955	177	112	korambath	korambath	PROPN
eurjchem-1955	177	113	,	,	PUNCT
eurjchem-1955	177	114	p.	p.	PROPN
eurjchem-1955	177	115	p.	p.	PROPN
eurjchem-1955	177	116	;	;	PUNCT
eurjchem-1955	177	117	adamson	adamson	PROPN
eurjchem-1955	177	118	,	,	PUNCT
eurjchem-1955	177	119	r.	r.	PROPN
eurjchem-1955	177	120	d.	d.	PROPN
eurjchem-1955	177	121	;	;	PUNCT
eurjchem-1955	177	122	austin	austin	PROPN
eurjchem-1955	177	123	,	,	PUNCT
eurjchem-1955	177	124	b.	b.	PROPN
eurjchem-1955	177	125	;	;	PUNCT
eurjchem-1955	177	126	baker	baker	PROPN
eurjchem-1955	177	127	,	,	PUNCT
eurjchem-1955	177	128	j.	j.	PROPN
eurjchem-1955	177	129	;	;	PUNCT
eurjchem-1955	177	130	byrd	byrd	PROPN
eurjchem-1955	177	131	,	,	PUNCT
eurjchem-1955	177	132	e.	e.	PROPN
eurjchem-1955	177	133	f.	f.	PROPN
eurjchem-1955	177	134	c.	c.	PROPN
eurjchem-1955	177	135	;	;	PUNCT
eurjchem-1955	177	136	dachsel	dachsel	PROPN
eurjchem-1955	177	137	,	,	PUNCT
eurjchem-1955	177	138	h.	h.	PROPN
eurjchem-1955	177	139	;	;	PUNCT
eurjchem-1955	177	140	doerksen	doerksen	PROPN
eurjchem-1955	177	141	,	,	PUNCT
eurjchem-1955	177	142	r.	r.	PROPN
eurjchem-1955	177	143	j.	j.	PROPN
eurjchem-1955	177	144	;	;	PUNCT
eurjchem-1955	177	145	dreuw	dreuw	PROPN
eurjchem-1955	177	146	,	,	PUNCT
eurjchem-1955	177	147	a.	a.	NOUN
eurjchem-1955	177	148	;	;	PUNCT
eurjchem-1955	177	149	dunietz	dunietz	VERB
eurjchem-1955	177	150	,	,	PUNCT
eurjchem-1955	177	151	b.	b.	PROPN
eurjchem-1955	177	152	d.	d.	PROPN
eurjchem-1955	177	153	;	;	PUNCT
eurjchem-1955	177	154	dutoi	dutoi	PROPN
eurjchem-1955	177	155	,	,	PUNCT
eurjchem-1955	177	156	a.	a.	PROPN
eurjchem-1955	177	157	d.	d.	PROPN
eurjchem-1955	177	158	;	;	PUNCT
eurjchem-1955	177	159	furlani	furlani	PROPN
eurjchem-1955	177	160	,	,	PUNCT
eurjchem-1955	177	161	t.	t.	PROPN
eurjchem-1955	177	162	r.	r.	PROPN
eurjchem-1955	177	163	;	;	PUNCT
eurjchem-1955	177	164	gwaltney	gwaltney	PROPN
eurjchem-1955	177	165	,	,	PUNCT
eurjchem-1955	177	166	s.	s.	PROPN
eurjchem-1955	177	167	r.	r.	PROPN
eurjchem-1955	177	168	;	;	PUNCT
eurjchem-1955	178	1	heyden	heyden	PROPN
eurjchem-1955	178	2	,	,	PUNCT
eurjchem-1955	178	3	a.	a.	NOUN
eurjchem-1955	178	4	;	;	PUNCT
eurjchem-1955	178	5	hirata	hirata	PROPN
eurjchem-1955	178	6	,	,	PUNCT
eurjchem-1955	178	7	s.	s.	PROPN
eurjchem-1955	178	8	;	;	PUNCT
eurjchem-1955	178	9	hsu	hsu	PROPN
eurjchem-1955	178	10	,	,	PUNCT
eurjchem-1955	178	11	c.	c.	PROPN
eurjchem-1955	178	12	p.	p.	PROPN
eurjchem-1955	178	13	;	;	PUNCT
eurjchem-1955	178	14	kedziora	kedziora	PROPN
eurjchem-1955	178	15	,	,	PUNCT
eurjchem-1955	178	16	g.	g.	PROPN
eurjchem-1955	178	17	;	;	PUNCT
eurjchem-1955	178	18	khalliulin	khalliulin	PROPN
eurjchem-1955	178	19	,	,	PUNCT
eurjchem-1955	178	20	r.	r.	PROPN
eurjchem-1955	178	21	z.	z.	PROPN
eurjchem-1955	178	22	;	;	PUNCT
eurjchem-1955	178	23	klunzinger	klunzinger	PROPN
eurjchem-1955	178	24	,	,	PUNCT
eurjchem-1955	178	25	p.	p.	PROPN
eurjchem-1955	178	26	;	;	PUNCT
eurjchem-1955	178	27	lee	lee	PROPN
eurjchem-1955	178	28	,	,	PUNCT
eurjchem-1955	178	29	a.	a.	NOUN
eurjchem-1955	178	30	m.	m.	NOUN
eurjchem-1955	178	31	;	;	PUNCT
eurjchem-1955	178	32	lee	lee	PROPN
eurjchem-1955	178	33	,	,	PUNCT
eurjchem-1955	178	34	m.	m.	PROPN
eurjchem-1955	178	35	s.	s.	PROPN
eurjchem-1955	178	36	;	;	PUNCT
eurjchem-1955	178	37	liang	liang	PROPN
eurjchem-1955	178	38	,	,	PUNCT
eurjchem-1955	178	39	w.	w.	PROPN
eurjchem-1955	178	40	;	;	PUNCT
eurjchem-1955	178	41	lotan	lotan	PROPN
eurjchem-1955	178	42	,	,	PUNCT
eurjchem-1955	178	43	i.	i.	PROPN
eurjchem-1955	178	44	;	;	PUNCT
eurjchem-1955	178	45	nair	nair	NOUN
eurjchem-1955	178	46	,	,	PUNCT
eurjchem-1955	178	47	n.	n.	NOUN
eurjchem-1955	178	48	;	;	PUNCT
eurjchem-1955	178	49	peters	peters	PROPN
eurjchem-1955	178	50	,	,	PUNCT
eurjchem-1955	178	51	b.	b.	PROPN
eurjchem-1955	178	52	;	;	PUNCT
eurjchem-1955	178	53	proynov	proynov	PROPN
eurjchem-1955	178	54	,	,	PUNCT
eurjchem-1955	178	55	e.	e.	PROPN
eurjchem-1955	178	56	i.	i.	PROPN
eurjchem-1955	178	57	;	;	PUNCT
eurjchem-1955	178	58	pieniazek	pieniazek	PROPN
eurjchem-1955	178	59	,	,	PUNCT
eurjchem-1955	178	60	p.	p.	NOUN
eurjchem-1955	178	61	a.	a.	NOUN
eurjchem-1955	178	62	;	;	PUNCT
eurjchem-1955	178	63	rhee	rhee	PROPN
eurjchem-1955	178	64	,	,	PUNCT
eurjchem-1955	178	65	y.	y.	PROPN
eurjchem-1955	178	66	m.	m.	PROPN
eurjchem-1955	178	67	;	;	PUNCT
eurjchem-1955	178	68	ritchie	ritchie	PROPN
eurjchem-1955	178	69	,	,	PUNCT
eurjchem-1955	178	70	j.	j.	PROPN
eurjchem-1955	178	71	;	;	PUNCT
eurjchem-1955	178	72	rosta	rosta	PROPN
eurjchem-1955	178	73	,	,	PUNCT
eurjchem-1955	178	74	e.	e.	PROPN
eurjchem-1955	178	75	;	;	PUNCT
eurjchem-1955	178	76	sherrill	sherrill	PROPN
eurjchem-1955	178	77	,	,	PUNCT
eurjchem-1955	178	78	c.	c.	PROPN
eurjchem-1955	178	79	d.	d.	PROPN
eurjchem-1955	178	80	;	;	PUNCT
eurjchem-1955	178	81	simmonett	simmonett	PROPN
eurjchem-1955	178	82	,	,	PUNCT
eurjchem-1955	178	83	a.	a.	PROPN
eurjchem-1955	178	84	c.	c.	PROPN
eurjchem-1955	178	85	;	;	PUNCT
eurjchem-1955	178	86	subotnik	subotnik	PROPN
eurjchem-1955	178	87	,	,	PUNCT
eurjchem-1955	178	88	j.	j.	PROPN
eurjchem-1955	178	89	e.	e.	PROPN
eurjchem-1955	178	90	;	;	PUNCT
eurjchem-1955	178	91	woodcock	woodcock	NOUN
eurjchem-1955	178	92	,	,	PUNCT
eurjchem-1955	178	93	h.	h.	PROPN
eurjchem-1955	178	94	l.	l.	PROPN
eurjchem-1955	178	95	;	;	PUNCT
eurjchem-1955	178	96	zhang	zhang	PROPN
eurjchem-1955	178	97	,	,	PUNCT
eurjchem-1955	178	98	w.	w.	PROPN
eurjchem-1955	178	99	;	;	PUNCT
eurjchem-1955	178	100	ell	ell	PROPN
eurjchem-1955	178	101	,	,	PUNCT
eurjchem-1955	178	102	a.	a.	PROPN
eurjchem-1955	178	103	t.	t.	PROPN
eurjchem-1955	178	104	;	;	PUNCT
eurjchem-1955	178	105	chakraborty	chakraborty	PROPN
eurjchem-1955	178	106	,	,	PUNCT
eurjchem-1955	178	107	a.	a.	PROPN
eurjchem-1955	178	108	k.	k.	PROPN
eurjchem-1955	178	109	;	;	PUNCT
eurjchem-1955	178	110	chipman	chipman	PROPN
eurjchem-1955	178	111	,	,	PUNCT
eurjchem-1955	178	112	d.	d.	PROPN
eurjchem-1955	178	113	m.	m.	PROPN
eurjchem-1955	178	114	;	;	PUNCT
eurjchem-1955	178	115	keil	keil	PROPN
eurjchem-1955	178	116	,	,	PUNCT
eurjchem-1955	178	117	f.	f.	PROPN
eurjchem-1955	178	118	j.	j.	PROPN
eurjchem-1955	178	119	;	;	PUNCT
eurjchem-1955	178	120	warshel	warshel	PROPN
eurjchem-1955	178	121	,	,	PUNCT
eurjchem-1955	178	122	a.	a.	NOUN
eurjchem-1955	178	123	;	;	PUNCT
eurjchem-1955	178	124	hehre	hehre	PROPN
eurjchem-1955	178	125	,	,	PUNCT
eurjchem-1955	178	126	w.	w.	PROPN
eurjchem-1955	178	127	j.	j.	PROPN
eurjchem-1955	178	128	;	;	PUNCT
eurjchem-1955	178	129	schaefer	schaefer	PROPN
eurjchem-1955	178	130	,	,	PUNCT
eurjchem-1955	178	131	h.	h.	PROPN
eurjchem-1955	178	132	f.	f.	PROPN
eurjchem-1955	178	133	;	;	PUNCT
eurjchem-1955	178	134	kong	kong	PROPN
eurjchem-1955	178	135	,	,	PUNCT
eurjchem-1955	178	136	j.	j.	PROPN
eurjchem-1955	178	137	;	;	PUNCT
eurjchem-1955	178	138	krylov	krylov	PROPN
eurjchem-1955	178	139	,	,	PUNCT
eurjchem-1955	178	140	a.	a.	NOUN
eurjchem-1955	178	141	i.	i.	NOUN
eurjchem-1955	178	142	;	;	PUNCT
eurjchem-1955	178	143	gill	gill	PROPN
eurjchem-1955	178	144	,	,	PUNCT
eurjchem-1955	178	145	p.	p.	PROPN
eurjchem-1955	178	146	m.	m.	PROPN
eurjchem-1955	178	147	w.	w.	PROPN
eurjchem-1955	178	148	;	;	PUNCT
eurjchem-1955	178	149	head	head	NOUN
eurjchem-1955	178	150	-	-	PUNCT
eurjchem-1955	178	151	gordon	gordon	PROPN
eurjchem-1955	178	152	,	,	PUNCT
eurjchem-1955	178	153	m.	m.	NOUN
eurjchem-1955	178	154	(	(	PUNCT
eurjchem-1955	178	155	spartan	spartan	ADJ
eurjchem-1955	178	156	,	,	PUNCT
eurjchem-1955	178	157	wavefunction	wavefunction	PROPN
eurjchem-1955	178	158	inc	inc	PROPN
eurjchem-1955	178	159	.	.	PROPN
eurjchem-1955	178	160	,	,	PUNCT
eurjchem-1955	178	161	irvine	irvine	PROPN
eurjchem-1955	178	162	,	,	PUNCT
eurjchem-1955	178	163	ca	ca	PROPN
eurjchem-1955	178	164	,	,	PUNCT
eurjchem-1955	178	165	usa	usa	PROPN
eurjchem-1955	178	166	)	)	PUNCT
eurjchem-1955	178	167	.	.	PUNCT
eurjchem-1955	179	1	phys	phy	NOUN
eurjchem-1955	179	2	.	.	PUNCT
eurjchem-1955	180	1	chem	chem	PROPN
eurjchem-1955	180	2	.	.	PUNCT
eurjchem-1955	181	1	chem	chem	NOUN
eurjchem-1955	181	2	.	.	PUNCT
eurjchem-1955	182	1	phys	phy	NOUN
eurjchem-1955	182	2	.	.	PUNCT
eurjchem-1955	183	1	2006	2006	NUM
eurjchem-1955	183	2	,	,	PUNCT
eurjchem-1955	183	3	8	8	NUM
eurjchem-1955	183	4	,	,	PUNCT
eurjchem-1955	183	5	3172	3172	NUM
eurjchem-1955	183	6	-	-	SYM
eurjchem-1955	183	7	3191	3191	NUM
eurjchem-1955	183	8	.	.	PUNCT
eurjchem-1955	184	1	[	[	X
eurjchem-1955	184	2	9	9	NUM
eurjchem-1955	184	3	]	]	PUNCT
eurjchem-1955	184	4	.	.	PUNCT
eurjchem-1955	185	1	thomsen	thomsen	PROPN
eurjchem-1955	185	2	,	,	PUNCT
eurjchem-1955	185	3	r.	r.	PROPN
eurjchem-1955	185	4	;	;	PUNCT
eurjchem-1955	185	5	christensen	christensen	PROPN
eurjchem-1955	185	6	,	,	PUNCT
eurjchem-1955	185	7	m.	m.	PROPN
eurjchem-1955	185	8	h.	h.	PROPN
eurjchem-1955	185	9	j.	j.	PROPN
eurjchem-1955	185	10	med	med	PROPN
eurjchem-1955	185	11	.	.	PROPN
eurjchem-1955	185	12	chem	chem	PROPN
eurjchem-1955	185	13	.	.	PUNCT
eurjchem-1955	186	1	2006	2006	NUM
eurjchem-1955	186	2	,	,	PUNCT
eurjchem-1955	186	3	49(11	49(11	PROPN
eurjchem-1955	186	4	)	)	PUNCT
eurjchem-1955	186	5	,	,	PUNCT
eurjchem-1955	186	6	33153321	33153321	NUM
eurjchem-1955	186	7	.	.	PUNCT
eurjchem-1955	187	1	[	[	X
eurjchem-1955	187	2	10	10	NUM
eurjchem-1955	187	3	]	]	PUNCT
eurjchem-1955	187	4	.	.	PUNCT
eurjchem-1955	187	5	biovia	biovia	PROPN
eurjchem-1955	187	6	,	,	PUNCT
eurjchem-1955	187	7	d.	d.	PROPN
eurjchem-1955	187	8	s.	s.	PROPN
eurjchem-1955	187	9	ca	ca	PROPN
eurjchem-1955	187	10	,	,	PUNCT
eurjchem-1955	187	11	usa	usa	PROPN
eurjchem-1955	187	12	:	:	PUNCT
eurjchem-1955	187	13	san	san	PROPN
eurjchem-1955	187	14	diego	diego	PROPN
eurjchem-1955	187	15	,	,	PUNCT
eurjchem-1955	187	16	discovery	discovery	NOUN
eurjchem-1955	187	17	studio	studio	NOUN
eurjchem-1955	187	18	visualizer	visualizer	NOUN
eurjchem-1955	187	19	,	,	PUNCT
eurjchem-1955	187	20	2017	2017	NUM
eurjchem-1955	187	21	.	.	PUNCT
eurjchem-1955	188	1	[	[	X
eurjchem-1955	188	2	11	11	NUM
eurjchem-1955	188	3	]	]	PUNCT
eurjchem-1955	188	4	.	.	PUNCT
eurjchem-1955	189	1	wang	wang	PROPN
eurjchem-1955	189	2	,	,	PUNCT
eurjchem-1955	189	3	a.	a.	PROPN
eurjchem-1955	189	4	;	;	PUNCT
eurjchem-1955	189	5	lv	lv	PROPN
eurjchem-1955	189	6	,	,	PUNCT
eurjchem-1955	189	7	k.	k.	PROPN
eurjchem-1955	189	8	;	;	PUNCT
eurjchem-1955	189	9	li	li	PROPN
eurjchem-1955	189	10	,	,	PUNCT
eurjchem-1955	189	11	l.	l.	PROPN
eurjchem-1955	189	12	;	;	PUNCT
eurjchem-1955	189	13	liu	liu	PROPN
eurjchem-1955	189	14	,	,	PUNCT
eurjchem-1955	189	15	h.	h.	PROPN
eurjchem-1955	189	16	;	;	PUNCT
eurjchem-1955	189	17	tao	tao	PROPN
eurjchem-1955	189	18	,	,	PUNCT
eurjchem-1955	189	19	z.	z.	PROPN
eurjchem-1955	189	20	;	;	PUNCT
eurjchem-1955	189	21	wang	wang	PROPN
eurjchem-1955	189	22	,	,	PUNCT
eurjchem-1955	189	23	b.	b.	PROPN
eurjchem-1955	189	24	;	;	PUNCT
eurjchem-1955	189	25	liu	liu	PROPN
eurjchem-1955	189	26	,	,	PUNCT
eurjchem-1955	189	27	m.	m.	NOUN
eurjchem-1955	189	28	;	;	PUNCT
eurjchem-1955	189	29	ma	ma	PROPN
eurjchem-1955	189	30	,	,	PUNCT
eurjchem-1955	189	31	c.	c.	PROPN
eurjchem-1955	189	32	;	;	PUNCT
eurjchem-1955	189	33	ma	ma	PROPN
eurjchem-1955	189	34	,	,	PUNCT
eurjchem-1955	189	35	x.	x.	PROPN
eurjchem-1955	189	36	;	;	PUNCT
eurjchem-1955	189	37	han	han	PROPN
eurjchem-1955	189	38	,	,	PUNCT
eurjchem-1955	189	39	b.	b.	PROPN
eurjchem-1955	189	40	;	;	PUNCT
eurjchem-1955	189	41	wang	wang	PROPN
eurjchem-1955	189	42	,	,	PUNCT
eurjchem-1955	189	43	a.	a.	PROPN
eurjchem-1955	189	44	;	;	PUNCT
eurjchem-1955	189	45	lu	lu	PROPN
eurjchem-1955	189	46	,	,	PUNCT
eurjchem-1955	189	47	y.	y.	PROPN
eurjchem-1955	189	48	eur	eur	PROPN
eurjchem-1955	189	49	.	.	PUNCT
eurjchem-1955	190	1	j.	j.	PROPN
eurjchem-1955	190	2	med	med	PROPN
eurjchem-1955	190	3	.	.	PROPN
eurjchem-1955	190	4	chem	chem	PROPN
eurjchem-1955	190	5	.	.	PUNCT
eurjchem-1955	191	1	2019	2019	NUM
eurjchem-1955	191	2	,	,	PUNCT
eurjchem-1955	191	3	178	178	NUM
eurjchem-1955	191	4	,	,	PUNCT
eurjchem-1955	191	5	715	715	NUM
eurjchem-1955	191	6	-	-	SYM
eurjchem-1955	191	7	725	725	NUM
eurjchem-1955	191	8	.	.	PUNCT
eurjchem-1955	192	1	[	[	X
eurjchem-1955	192	2	12	12	NUM
eurjchem-1955	192	3	]	]	PUNCT
eurjchem-1955	192	4	.	.	PUNCT
eurjchem-1955	193	1	abdullahi	abdullahi	PROPN
eurjchem-1955	193	2	,	,	PUNCT
eurjchem-1955	193	3	m.	m.	NOUN
eurjchem-1955	193	4	;	;	PUNCT
eurjchem-1955	193	5	shallangwa	shallangwa	PROPN
eurjchem-1955	193	6	,	,	PUNCT
eurjchem-1955	193	7	g.	g.	PROPN
eurjchem-1955	193	8	a.	a.	PROPN
eurjchem-1955	193	9	;	;	PUNCT
eurjchem-1955	193	10	ali	ali	PROPN
eurjchem-1955	193	11	,	,	PUNCT
eurjchem-1955	193	12	t.	t.	PROPN
eurjchem-1955	193	13	;	;	PUNCT
eurjchem-1955	193	14	uzairu	uzairu	PROPN
eurjchem-1955	193	15	,	,	PUNCT
eurjchem-1955	193	16	a.	a.	PROPN
eurjchem-1955	193	17	j.	j.	PROPN
eurjchem-1955	193	18	eng	eng	PROPN
eurjchem-1955	193	19	.	.	PROPN
eurjchem-1955	194	1	exact	exact	PROPN
eurjchem-1955	194	2	.	.	PUNCT
eurjchem-1955	195	1	sci	sci	PROPN
eurjchem-1955	195	2	.	.	PROPN
eurjchem-1955	195	3	2019	2019	NUM
eurjchem-1955	195	4	,	,	PUNCT
eurjchem-1955	195	5	5(1	5(1	NUM
eurjchem-1955	195	6	)	)	PUNCT
eurjchem-1955	195	7	,	,	PUNCT
eurjchem-1955	195	8	63	63	NUM
eurjchem-1955	195	9	-	-	SYM
eurjchem-1955	195	10	78	78	NUM
eurjchem-1955	195	11	.	.	PUNCT
eurjchem-1955	196	1	[	[	X
eurjchem-1955	196	2	13	13	NUM
eurjchem-1955	196	3	]	]	PUNCT
eurjchem-1955	196	4	.	.	PUNCT
eurjchem-1955	197	1	becke	becke	NOUN
eurjchem-1955	197	2	,	,	PUNCT
eurjchem-1955	197	3	a.	a.	PROPN
eurjchem-1955	197	4	d.	d.	PROPN
eurjchem-1955	197	5	j.	j.	PROPN
eurjchem-1955	197	6	chem	chem	PROPN
eurjchem-1955	197	7	.	.	PUNCT
eurjchem-1955	198	1	phys	phy	NOUN
eurjchem-1955	198	2	.	.	PUNCT
eurjchem-1955	199	1	1993	1993	NUM
eurjchem-1955	199	2	,	,	PUNCT
eurjchem-1955	199	3	98	98	NUM
eurjchem-1955	199	4	,	,	PUNCT
eurjchem-1955	199	5	5648	5648	NUM
eurjchem-1955	199	6	-	-	SYM
eurjchem-1955	199	7	5652	5652	NUM
eurjchem-1955	199	8	.	.	PUNCT
eurjchem-1955	200	1	[	[	X
eurjchem-1955	200	2	14	14	NUM
eurjchem-1955	200	3	]	]	SYM
eurjchem-1955	200	4	.	.	PUNCT
eurjchem-1955	201	1	lee	lee	PROPN
eurjchem-1955	201	2	,	,	PUNCT
eurjchem-1955	201	3	c.	c.	PROPN
eurjchem-1955	201	4	;	;	PUNCT
eurjchem-1955	201	5	yang	yang	PROPN
eurjchem-1955	201	6	,	,	PUNCT
eurjchem-1955	201	7	w.	w.	PROPN
eurjchem-1955	201	8	;	;	PUNCT
eurjchem-1955	201	9	parr	parr	PROPN
eurjchem-1955	201	10	,	,	PUNCT
eurjchem-1955	201	11	r.	r.	PROPN
eurjchem-1955	201	12	g.	g.	PROPN
eurjchem-1955	201	13	phys	phys	PROPN
eurjchem-1955	201	14	.	.	PUNCT
eurjchem-1955	202	1	rev	rev	PROPN
eurjchem-1955	202	2	.	.	PROPN
eurjchem-1955	203	1	b	b	PROPN
eurjchem-1955	203	2	1988	1988	NUM
eurjchem-1955	203	3	,	,	PUNCT
eurjchem-1955	203	4	37	37	NUM
eurjchem-1955	203	5	,	,	PUNCT
eurjchem-1955	203	6	785	785	NUM
eurjchem-1955	203	7	-	-	SYM
eurjchem-1955	203	8	789	789	NUM
eurjchem-1955	203	9	.	.	PUNCT
eurjchem-1955	204	1	[	[	X
eurjchem-1955	204	2	15	15	NUM
eurjchem-1955	204	3	]	]	PUNCT
eurjchem-1955	204	4	.	.	PUNCT
eurjchem-1955	205	1	mustapha	mustapha	PROPN
eurjchem-1955	205	2	,	,	PUNCT
eurjchem-1955	205	3	a.	a.	NOUN
eurjchem-1955	205	4	;	;	PUNCT
eurjchem-1955	205	5	shallangwa	shallangwa	PROPN
eurjchem-1955	205	6	,	,	PUNCT
eurjchem-1955	205	7	g.	g.	PROPN
eurjchem-1955	205	8	;	;	PUNCT
eurjchem-1955	205	9	ibrahim	ibrahim	PROPN
eurjchem-1955	205	10	,	,	PUNCT
eurjchem-1955	205	11	m.	m.	NOUN
eurjchem-1955	205	12	t.	t.	PROPN
eurjchem-1955	205	13	;	;	PUNCT
eurjchem-1955	205	14	bello	bello	PROPN
eurjchem-1955	205	15	,	,	PUNCT
eurjchem-1955	205	16	a.	a.	PROPN
eurjchem-1955	205	17	u.	u.	PROPN
eurjchem-1955	205	18	;	;	PUNCT
eurjchem-1955	205	19	ebuka	ebuka	PROPN
eurjchem-1955	205	20	,	,	PUNCT
eurjchem-1955	205	21	d.	d.	PROPN
eurjchem-1955	205	22	a.	a.	PROPN
eurjchem-1955	205	23	;	;	PUNCT
eurjchem-1955	205	24	uzairu	uzairu	NOUN
eurjchem-1955	205	25	,	,	PUNCT
eurjchem-1955	205	26	a.	a.	NOUN
eurjchem-1955	205	27	;	;	PUNCT
eurjchem-1955	205	28	mamza	mamza	NOUN
eurjchem-1955	205	29	,	,	PUNCT
eurjchem-1955	205	30	p.	p.	PROPN
eurjchem-1955	205	31	j.	j.	PROPN
eurjchem-1955	205	32	turk	turk	PROPN
eurjchem-1955	205	33	.	.	PUNCT
eurjchem-1955	206	1	chem	chem	PROPN
eurjchem-1955	206	2	.	.	PUNCT
eurjchem-1955	207	1	soc	soc	PROPN
eurjchem-1955	207	2	.	.	PUNCT
eurjchem-1955	208	1	chem	chem	PROPN
eurjchem-1955	208	2	.	.	PUNCT
eurjchem-1955	209	1	2018	2018	NUM
eurjchem-1955	209	2	,	,	PUNCT
eurjchem-1955	209	3	5(3	5(3	NUM
eurjchem-1955	209	4	)	)	PUNCT
eurjchem-1955	209	5	,	,	PUNCT
eurjchem-1955	209	6	1387	1387	NUM
eurjchem-1955	209	7	-	-	SYM
eurjchem-1955	209	8	1398	1398	NUM
eurjchem-1955	209	9	.	.	PUNCT
eurjchem-1955	210	1	[	[	X
eurjchem-1955	210	2	16	16	NUM
eurjchem-1955	210	3	]	]	PUNCT
eurjchem-1955	210	4	.	.	PUNCT
eurjchem-1955	211	1	murtaza	murtaza	PROPN
eurjchem-1955	211	2	,	,	PUNCT
eurjchem-1955	211	3	s.	s.	PROPN
eurjchem-1955	211	4	;	;	PUNCT
eurjchem-1955	211	5	altaf	altaf	PROPN
eurjchem-1955	211	6	,	,	PUNCT
eurjchem-1955	211	7	a.	a.	NOUN
eurjchem-1955	211	8	a.	a.	NOUN
eurjchem-1955	211	9	;	;	PUNCT
eurjchem-1955	211	10	hamayun	hamayun	NOUN
eurjchem-1955	211	11	,	,	PUNCT
eurjchem-1955	211	12	m.	m.	NOUN
eurjchem-1955	211	13	;	;	PUNCT
eurjchem-1955	211	14	iftikhar	iftikhar	PROPN
eurjchem-1955	211	15	,	,	PUNCT
eurjchem-1955	211	16	k.	k.	PROPN
eurjchem-1955	211	17	;	;	PUNCT
eurjchem-1955	211	18	tahir	tahir	PROPN
eurjchem-1955	211	19	,	,	PUNCT
eurjchem-1955	211	20	m.	m.	NOUN
eurjchem-1955	211	21	n.	n.	PROPN
eurjchem-1955	211	22	;	;	PUNCT
eurjchem-1955	211	23	tariq	tariq	PROPN
eurjchem-1955	211	24	,	,	PUNCT
eurjchem-1955	211	25	j.	j.	PROPN
eurjchem-1955	211	26	;	;	PUNCT
eurjchem-1955	211	27	faiz	faiz	PROPN
eurjchem-1955	211	28	,	,	PUNCT
eurjchem-1955	211	29	k.	k.	PROPN
eurjchem-1955	211	30	eur	eur	PROPN
eurjchem-1955	211	31	.	.	PUNCT
eurjchem-1955	212	1	j.	j.	PROPN
eurjchem-1955	212	2	chem	chem	PROPN
eurjchem-1955	212	3	.	.	PUNCT
eurjchem-1955	213	1	2019	2019	NUM
eurjchem-1955	213	2	,	,	PUNCT
eurjchem-1955	213	3	10(4	10(4	NUM
eurjchem-1955	213	4	)	)	PUNCT
eurjchem-1955	213	5	,	,	PUNCT
eurjchem-1955	213	6	358	358	NUM
eurjchem-1955	213	7	-	-	SYM
eurjchem-1955	213	8	366	366	NUM
eurjchem-1955	213	9	.	.	PUNCT
eurjchem-1955	214	1	[	[	X
eurjchem-1955	214	2	17	17	NUM
eurjchem-1955	214	3	]	]	PUNCT
eurjchem-1955	214	4	.	.	PUNCT
eurjchem-1955	215	1	piton	piton	PROPN
eurjchem-1955	215	2	,	,	PUNCT
eurjchem-1955	215	3	j.	j.	PROPN
eurjchem-1955	215	4	;	;	PUNCT
eurjchem-1955	215	5	petrella	petrella	NOUN
eurjchem-1955	215	6	,	,	PUNCT
eurjchem-1955	215	7	s.	s.	PROPN
eurjchem-1955	215	8	;	;	PUNCT
eurjchem-1955	215	9	delarue	delarue	ADJ
eurjchem-1955	215	10	,	,	PUNCT
eurjchem-1955	215	11	m.	m.	NOUN
eurjchem-1955	215	12	;	;	PUNCT
eurjchem-1955	215	13	andre	andre	PROPN
eurjchem-1955	215	14	-	-	PUNCT
eurjchem-1955	215	15	leroux	leroux	PROPN
eurjchem-1955	215	16	,	,	PUNCT
eurjchem-1955	215	17	g.	g.	PROPN
eurjchem-1955	215	18	;	;	PUNCT
eurjchem-1955	215	19	jarlier	jarlier	NOUN
eurjchem-1955	215	20	,	,	PUNCT
eurjchem-1955	215	21	v.	v.	PROPN
eurjchem-1955	215	22	;	;	PUNCT
eurjchem-1955	215	23	aubry	aubry	PROPN
eurjchem-1955	215	24	,	,	PUNCT
eurjchem-1955	215	25	a.	a.	PROPN
eurjchem-1955	215	26	;	;	PUNCT
eurjchem-1955	215	27	mayer	mayer	PROPN
eurjchem-1955	215	28	,	,	PUNCT
eurjchem-1955	215	29	c.	c.	PROPN
eurjchem-1955	215	30	plos	plos	PROPN
eurjchem-1955	215	31	one	one	NUM
eurjchem-1955	215	32	2010	2010	NUM
eurjchem-1955	215	33	,	,	PUNCT
eurjchem-1955	215	34	5(8	5(8	NUM
eurjchem-1955	215	35	)	)	PUNCT
eurjchem-1955	215	36	,	,	PUNCT
eurjchem-1955	215	37	e12245	e12245	PROPN
eurjchem-1955	215	38	.	.	PUNCT
eurjchem-1955	216	1	[	[	X
eurjchem-1955	216	2	18	18	NUM
eurjchem-1955	216	3	]	]	PUNCT
eurjchem-1955	216	4	.	.	PUNCT
eurjchem-1955	217	1	kusumaningrum	kusumaningrum	PROPN
eurjchem-1955	217	2	,	,	PUNCT
eurjchem-1955	217	3	s.	s.	PROPN
eurjchem-1955	217	4	;	;	PUNCT
eurjchem-1955	217	5	budianto	budianto	PROPN
eurjchem-1955	217	6	,	,	PUNCT
eurjchem-1955	217	7	e.	e.	PROPN
eurjchem-1955	217	8	;	;	PUNCT
eurjchem-1955	217	9	kosela	kosela	PROPN
eurjchem-1955	217	10	,	,	PUNCT
eurjchem-1955	217	11	s.	s.	PROPN
eurjchem-1955	217	12	;	;	PUNCT
eurjchem-1955	217	13	sumaryono	sumaryono	PROPN
eurjchem-1955	217	14	,	,	PUNCT
eurjchem-1955	217	15	w.	w.	PROPN
eurjchem-1955	217	16	;	;	PUNCT
eurjchem-1955	217	17	juniarti	juniarti	PROPN
eurjchem-1955	217	18	,	,	PUNCT
eurjchem-1955	217	19	f.	f.	PROPN
eurjchem-1955	217	20	j.	j.	PROPN
eurjchem-1955	217	21	app	app	PROPN
eurjchem-1955	217	22	.	.	PUNCT
eurjchem-1955	218	1	phar	phar	PROPN
eurjchem-1955	218	2	.	.	PUNCT
eurjchem-1955	219	1	sci	sci	PROPN
eurjchem-1955	219	2	.	.	PROPN
eurjchem-1955	219	3	2014	2014	NUM
eurjchem-1955	219	4	,	,	PUNCT
eurjchem-1955	219	5	4(11	4(11	NUM
eurjchem-1955	219	6	)	)	PUNCT
eurjchem-1955	219	7	,	,	PUNCT
eurjchem-1955	219	8	47	47	NUM
eurjchem-1955	219	9	-	-	SYM
eurjchem-1955	219	10	53	53	NUM
eurjchem-1955	219	11	.	.	PUNCT
eurjchem-1955	220	1	[	[	X
eurjchem-1955	220	2	19	19	NUM
eurjchem-1955	220	3	]	]	PUNCT
eurjchem-1955	220	4	.	.	PUNCT
eurjchem-1955	221	1	yadav	yadav	PROPN
eurjchem-1955	221	2	,	,	PUNCT
eurjchem-1955	221	3	m.	m.	NOUN
eurjchem-1955	221	4	;	;	PUNCT
eurjchem-1955	221	5	khandelwal	khandelwal	PROPN
eurjchem-1955	221	6	,	,	PUNCT
eurjchem-1955	221	7	r.	r.	PROPN
eurjchem-1955	221	8	;	;	PUNCT
eurjchem-1955	221	9	urvy	urvy	PROPN
eurjchem-1955	221	10	,	,	PUNCT
eurjchem-1955	221	11	m.	m.	NOUN
eurjchem-1955	221	12	;	;	PUNCT
eurjchem-1955	221	13	srinitha	srinitha	PROPN
eurjchem-1955	221	14	.	.	PUNCT
eurjchem-1955	222	1	s.	s.	PROPN
eurjchem-1955	222	2	;	;	PUNCT
eurjchem-1955	222	3	khandekar	khandekar	PROPN
eurjchem-1955	222	4	,	,	PUNCT
eurjchem-1955	222	5	n.	n.	PROPN
eurjchem-1955	222	6	;	;	PUNCT
eurjchem-1955	222	7	nayarisseri	nayarisseri	PROPN
eurjchem-1955	222	8	,	,	PUNCT
eurjchem-1955	222	9	a.	a.	NOUN
eurjchem-1955	222	10	;	;	PUNCT
eurjchem-1955	222	11	sugunakar	sugunakar	NOUN
eurjchem-1955	222	12	,	,	PUNCT
eurjchem-1955	222	13	v.	v.	PROPN
eurjchem-1955	222	14	;	;	PUNCT
eurjchem-1955	222	15	sanjeev	sanjeev	PROPN
eurjchem-1955	222	16	,	,	PUNCT
eurjchem-1955	222	17	k.	k.	PROPN
eurjchem-1955	222	18	s.	s.	PROPN
eurjchem-1955	222	19	asian	asian	PROPN
eurjchem-1955	222	20	pac	pac	PROPN
eurjchem-1955	222	21	.	.	PUNCT
eurjchem-1955	223	1	j.	j.	PROPN
eurjchem-1955	223	2	cancer	cancer	PROPN
eurjchem-1955	223	3	prev	prev	PROPN
eurjchem-1955	223	4	.	.	PROPN
eurjchem-1955	223	5	2019	2019	NUM
eurjchem-1955	223	6	,	,	PUNCT
eurjchem-1955	223	7	20(9	20(9	NUM
eurjchem-1955	223	8	)	)	PUNCT
eurjchem-1955	223	9	,	,	PUNCT
eurjchem-1955	223	10	2681	2681	NUM
eurjchem-1955	223	11	-	-	SYM
eurjchem-1955	223	12	2692	2692	NUM
eurjchem-1955	223	13	.	.	PUNCT
eurjchem-1955	224	1	[	[	X
eurjchem-1955	224	2	20	20	NUM
eurjchem-1955	224	3	]	]	PUNCT
eurjchem-1955	224	4	.	.	PUNCT
eurjchem-1955	224	5	torktaz	torktaz	PROPN
eurjchem-1955	224	6	,	,	PUNCT
eurjchem-1955	224	7	i.	i.	NOUN
eurjchem-1955	224	8	;	;	PUNCT
eurjchem-1955	224	9	mohamadhashem	mohamadhashem	PROPN
eurjchem-1955	224	10	,	,	PUNCT
eurjchem-1955	224	11	f.	f.	PROPN
eurjchem-1955	224	12	;	;	PUNCT
eurjchem-1955	224	13	esmaeili	esmaeili	NOUN
eurjchem-1955	224	14	,	,	PUNCT
eurjchem-1955	224	15	a.	a.	NOUN
eurjchem-1955	224	16	;	;	PUNCT
eurjchem-1955	224	17	behjati	behjati	NOUN
eurjchem-1955	224	18	,	,	PUNCT
eurjchem-1955	224	19	m.	m.	NOUN
eurjchem-1955	224	20	;	;	PUNCT
eurjchem-1955	224	21	sharifzadeh	sharifzadeh	PROPN
eurjchem-1955	224	22	,	,	PUNCT
eurjchem-1955	224	23	s.	s.	PROPN
eurjchem-1955	224	24	bioimpacts	bioimpact	VERB
eurjchem-1955	224	25	.	.	PUNCT
eurjchem-1955	225	1	2013	2013	NUM
eurjchem-1955	225	2	,	,	PUNCT
eurjchem-1955	225	3	3(3	3(3	NUM
eurjchem-1955	225	4	)	)	PUNCT
eurjchem-1955	225	5	,	,	PUNCT
eurjchem-1955	225	6	141	141	NUM
eurjchem-1955	225	7	-	-	SYM
eurjchem-1955	225	8	144	144	NUM
eurjchem-1955	225	9	.	.	PUNCT
eurjchem-1955	226	1	[	[	X
eurjchem-1955	226	2	21	21	NUM
eurjchem-1955	226	3	]	]	PUNCT
eurjchem-1955	226	4	.	.	PUNCT
eurjchem-1955	227	1	mishra	mishra	PROPN
eurjchem-1955	227	2	,	,	PUNCT
eurjchem-1955	227	3	v.	v.	PROPN
eurjchem-1955	227	4	;	;	PUNCT
eurjchem-1955	227	5	kashyap	kashyap	PROPN
eurjchem-1955	227	6	,	,	PUNCT
eurjchem-1955	227	7	s.	s.	PROPN
eurjchem-1955	227	8	;	;	PUNCT
eurjchem-1955	227	9	hasija	hasija	NOUN
eurjchem-1955	227	10	,	,	PUNCT
eurjchem-1955	227	11	y.	y.	PROPN
eurjchem-1955	227	12	j.	j.	PROPN
eurjchem-1955	227	13	taibah	taibah	PROPN
eurjchem-1955	227	14	univ	univ	PROPN
eurjchem-1955	227	15	.	.	PUNCT
eurjchem-1955	228	1	sci	sci	PROPN
eurjchem-1955	228	2	.	.	PROPN
eurjchem-1955	228	3	2015	2015	NUM
eurjchem-1955	228	4	,	,	PUNCT
eurjchem-1955	228	5	9(1	9(1	NUM
eurjchem-1955	228	6	)	)	PUNCT
eurjchem-1955	228	7	,	,	PUNCT
eurjchem-1955	228	8	2026	2026	NUM
eurjchem-1955	228	9	.	.	PUNCT
eurjchem-1955	229	1	[	[	X
eurjchem-1955	229	2	22	22	NUM
eurjchem-1955	229	3	]	]	PUNCT
eurjchem-1955	229	4	.	.	PUNCT
eurjchem-1955	230	1	madhuri	madhuri	PROPN
eurjchem-1955	230	2	,	,	PUNCT
eurjchem-1955	230	3	m.	m.	NOUN
eurjchem-1955	230	4	;	;	PUNCT
eurjchem-1955	230	5	prasad	prasad	PROPN
eurjchem-1955	230	6	,	,	PUNCT
eurjchem-1955	230	7	c.	c.	PROPN
eurjchem-1955	230	8	;	;	PUNCT
eurjchem-1955	230	9	avupati	avupati	PROPN
eurjchem-1955	230	10	,	,	PUNCT
eurjchem-1955	230	11	v.	v.	PROPN
eurjchem-1955	230	12	r.	r.	PROPN
eurjchem-1955	230	13	int	int	PROPN
eurjchem-1955	230	14	.	.	PUNCT
eurjchem-1955	231	1	j.	j.	PROPN
eurjchem-1955	231	2	comp	comp	PROPN
eurjchem-1955	231	3	.	.	PUNCT
eurjchem-1955	232	1	appl	appl	PROPN
eurjchem-1955	232	2	.	.	PROPN
eurjchem-1955	233	1	2014	2014	NUM
eurjchem-1955	233	2	,	,	PUNCT
eurjchem-1955	233	3	95(6	95(6	NUM
eurjchem-1955	233	4	)	)	PUNCT
eurjchem-1955	233	5	,	,	PUNCT
eurjchem-1955	233	6	13	13	NUM
eurjchem-1955	233	7	-	-	SYM
eurjchem-1955	233	8	16	16	NUM
eurjchem-1955	233	9	.	.	PUNCT
eurjchem-1955	234	1	[	[	X
eurjchem-1955	234	2	23	23	NUM
eurjchem-1955	234	3	]	]	PUNCT
eurjchem-1955	234	4	.	.	PUNCT
eurjchem-1955	235	1	giacoppo	giacoppo	PROPN
eurjchem-1955	235	2	,	,	PUNCT
eurjchem-1955	235	3	j.	j.	PROPN
eurjchem-1955	235	4	o.	o.	PROPN
eurjchem-1955	235	5	s.	s.	PROPN
eurjchem-1955	235	6	;	;	PUNCT
eurjchem-1955	235	7	franca	franca	NOUN
eurjchem-1955	235	8	,	,	PUNCT
eurjchem-1955	235	9	t.	t.	PROPN
eurjchem-1955	235	10	c.	c.	PROPN
eurjchem-1955	235	11	c.	c.	PROPN
eurjchem-1955	235	12	;	;	PUNCT
eurjchem-1955	235	13	kuca	kuca	NOUN
eurjchem-1955	235	14	,	,	PUNCT
eurjchem-1955	235	15	k.	k.	PROPN
eurjchem-1955	235	16	;	;	PUNCT
eurjchem-1955	235	17	cunha	cunha	NOUN
eurjchem-1955	235	18	,	,	PUNCT
eurjchem-1955	235	19	e.	e.	PROPN
eurjchem-1955	235	20	f.	f.	PROPN
eurjchem-1955	235	21	f.	f.	PROPN
eurjchem-1955	235	22	;	;	PUNCT
eurjchem-1955	235	23	abagyan	abagyan	PROPN
eurjchem-1955	235	24	,	,	PUNCT
eurjchem-1955	235	25	r.	r.	PROPN
eurjchem-1955	235	26	;	;	PUNCT
eurjchem-1955	235	27	mancini	mancini	PROPN
eurjchem-1955	235	28	,	,	PUNCT
eurjchem-1955	235	29	d.	d.	PROPN
eurjchem-1955	235	30	t.	t.	PROPN
eurjchem-1955	235	31	;	;	PUNCT
eurjchem-1955	235	32	ramalho	ramalho	PROPN
eurjchem-1955	235	33	,	,	PUNCT
eurjchem-1955	235	34	t.	t.	PROPN
eurjchem-1955	235	35	c.	c.	PROPN
eurjchem-1955	235	36	j.	j.	PROPN
eurjchem-1955	235	37	biom	biom	PROPN
eurjchem-1955	235	38	.	.	PUNCT
eurjchem-1955	236	1	struc	struc	PROPN
eurjchem-1955	236	2	.	.	PUNCT
eurjchem-1955	237	1	dyn	dyn	NOUN
eurjchem-1955	237	2	.	.	PUNCT
eurjchem-1955	238	1	2015	2015	NUM
eurjchem-1955	238	2	,	,	PUNCT
eurjchem-1955	238	3	33(9	33(9	NUM
eurjchem-1955	238	4	)	)	PUNCT
eurjchem-1955	238	5	,	,	PUNCT
eurjchem-1955	238	6	20482058	20482058	NUM
eurjchem-1955	238	7	.	.	PUNCT
eurjchem-1955	239	1	copyright	copyright	NOUN
eurjchem-1955	239	2	©	©	PROPN
eurjchem-1955	239	3	2020	2020	NUM
eurjchem-1955	239	4	by	by	ADP
eurjchem-1955	239	5	authors	author	NOUN
eurjchem-1955	239	6	.	.	PUNCT
eurjchem-1955	240	1	this	this	DET
eurjchem-1955	240	2	work	work	NOUN
eurjchem-1955	240	3	is	be	AUX
eurjchem-1955	240	4	published	publish	VERB
eurjchem-1955	240	5	and	and	CCONJ
eurjchem-1955	240	6	licensed	license	VERB
eurjchem-1955	240	7	by	by	ADP
eurjchem-1955	240	8	atlanta	atlanta	PROPN
eurjchem-1955	240	9	publishing	publishing	PROPN
eurjchem-1955	240	10	house	house	PROPN
eurjchem-1955	240	11	llc	llc	PROPN
eurjchem-1955	240	12	,	,	PUNCT
eurjchem-1955	240	13	atlanta	atlanta	PROPN
eurjchem-1955	240	14	,	,	PUNCT
eurjchem-1955	240	15	ga	ga	PROPN
eurjchem-1955	240	16	,	,	PUNCT
eurjchem-1955	240	17	usa	usa	PROPN
eurjchem-1955	240	18	.	.	PUNCT
eurjchem-1955	241	1	the	the	DET
eurjchem-1955	241	2	full	full	ADJ
eurjchem-1955	241	3	terms	term	NOUN
eurjchem-1955	241	4	of	of	ADP
eurjchem-1955	241	5	this	this	DET
eurjchem-1955	241	6	license	license	NOUN
eurjchem-1955	241	7	are	be	AUX
eurjchem-1955	241	8	available	available	ADJ
eurjchem-1955	241	9	at	at	ADP
eurjchem-1955	241	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1955	241	11	and	and	CCONJ
eurjchem-1955	241	12	incorporate	incorporate	VERB
eurjchem-1955	241	13	the	the	DET
eurjchem-1955	241	14	creative	creative	ADJ
eurjchem-1955	241	15	commons	common	NOUN
eurjchem-1955	241	16	attribution	attribution	NOUN
eurjchem-1955	241	17	-	-	PUNCT
eurjchem-1955	241	18	non	non	ADJ
eurjchem-1955	241	19	commercial	commercial	NOUN
eurjchem-1955	241	20	(	(	PUNCT
eurjchem-1955	241	21	cc	cc	NOUN
eurjchem-1955	241	22	by	by	ADP
eurjchem-1955	241	23	nc	nc	PROPN
eurjchem-1955	241	24	)	)	PUNCT
eurjchem-1955	241	25	(	(	PUNCT
eurjchem-1955	241	26	international	international	ADJ
eurjchem-1955	241	27	,	,	PUNCT
eurjchem-1955	241	28	v4.0	v4.0	NOUN
eurjchem-1955	241	29	)	)	PUNCT
eurjchem-1955	241	30	license	license	NOUN
eurjchem-1955	241	31	(	(	PUNCT
eurjchem-1955	241	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-1955	241	33	)	)	PUNCT
eurjchem-1955	241	34	.	.	PUNCT
eurjchem-1955	242	1	by	by	ADP
eurjchem-1955	242	2	accessing	access	VERB
eurjchem-1955	242	3	the	the	DET
eurjchem-1955	242	4	work	work	NOUN
eurjchem-1955	242	5	,	,	PUNCT
eurjchem-1955	242	6	you	you	PRON
eurjchem-1955	242	7	hereby	hereby	ADV
eurjchem-1955	242	8	accept	accept	VERB
eurjchem-1955	242	9	the	the	DET
eurjchem-1955	242	10	terms	term	NOUN
eurjchem-1955	242	11	.	.	PUNCT
eurjchem-1955	243	1	this	this	PRON
eurjchem-1955	243	2	is	be	AUX
eurjchem-1955	243	3	an	an	DET
eurjchem-1955	243	4	open	open	ADJ
eurjchem-1955	243	5	access	access	NOUN
eurjchem-1955	243	6	article	article	NOUN
eurjchem-1955	243	7	distributed	distribute	VERB
eurjchem-1955	243	8	under	under	ADP
eurjchem-1955	243	9	the	the	DET
eurjchem-1955	243	10	terms	term	NOUN
eurjchem-1955	243	11	and	and	CCONJ
eurjchem-1955	243	12	conditions	condition	NOUN
eurjchem-1955	243	13	of	of	ADP
eurjchem-1955	243	14	the	the	DET
eurjchem-1955	243	15	cc	cc	PROPN
eurjchem-1955	243	16	by	by	ADP
eurjchem-1955	243	17	nc	nc	PROPN
eurjchem-1955	243	18	license	license	PROPN
eurjchem-1955	243	19	,	,	PUNCT
eurjchem-1955	243	20	which	which	PRON
eurjchem-1955	243	21	permits	permit	VERB
eurjchem-1955	243	22	unrestricted	unrestricted	ADJ
eurjchem-1955	243	23	non	non	ADJ
eurjchem-1955	243	24	-	-	ADJ
eurjchem-1955	243	25	commercial	commercial	ADJ
eurjchem-1955	243	26	use	use	NOUN
eurjchem-1955	243	27	,	,	PUNCT
eurjchem-1955	243	28	distribution	distribution	NOUN
eurjchem-1955	243	29	,	,	PUNCT
eurjchem-1955	243	30	and	and	CCONJ
eurjchem-1955	243	31	reproduction	reproduction	NOUN
eurjchem-1955	243	32	in	in	ADP
eurjchem-1955	243	33	any	any	DET
eurjchem-1955	243	34	medium	medium	NOUN
eurjchem-1955	243	35	,	,	PUNCT
eurjchem-1955	243	36	provided	provide	VERB
eurjchem-1955	243	37	the	the	DET
eurjchem-1955	243	38	original	original	ADJ
eurjchem-1955	243	39	work	work	NOUN
eurjchem-1955	243	40	is	be	AUX
eurjchem-1955	243	41	properly	properly	ADV
eurjchem-1955	243	42	cited	cite	VERB
eurjchem-1955	243	43	without	without	ADP
eurjchem-1955	243	44	any	any	DET
eurjchem-1955	243	45	further	further	ADJ
eurjchem-1955	243	46	permission	permission	NOUN
eurjchem-1955	243	47	from	from	ADP
eurjchem-1955	243	48	atlanta	atlanta	PROPN
eurjchem-1955	243	49	publishing	publishing	PROPN
eurjchem-1955	243	50	house	house	PROPN
eurjchem-1955	243	51	llc	llc	PROPN
eurjchem-1955	243	52	(	(	PUNCT
eurjchem-1955	243	53	european	european	PROPN
eurjchem-1955	243	54	journal	journal	PROPN
eurjchem-1955	243	55	of	of	ADP
eurjchem-1955	243	56	chemistry	chemistry	NOUN
eurjchem-1955	243	57	)	)	PUNCT
eurjchem-1955	243	58	.	.	PUNCT
eurjchem-1955	244	1	no	no	DET
eurjchem-1955	244	2	use	use	NOUN
eurjchem-1955	244	3	,	,	PUNCT
eurjchem-1955	244	4	distribution	distribution	NOUN
eurjchem-1955	244	5	or	or	CCONJ
eurjchem-1955	244	6	reproduction	reproduction	NOUN
eurjchem-1955	244	7	is	be	AUX
eurjchem-1955	244	8	permitted	permit	VERB
eurjchem-1955	244	9	which	which	PRON
eurjchem-1955	244	10	does	do	AUX
eurjchem-1955	244	11	not	not	PART
eurjchem-1955	244	12	comply	comply	VERB
eurjchem-1955	244	13	with	with	ADP
eurjchem-1955	244	14	these	these	DET
eurjchem-1955	244	15	terms	term	NOUN
eurjchem-1955	244	16	.	.	PUNCT
eurjchem-1955	245	1	permissions	permission	NOUN
eurjchem-1955	245	2	for	for	ADP
eurjchem-1955	245	3	commercial	commercial	ADJ
eurjchem-1955	245	4	use	use	NOUN
eurjchem-1955	245	5	of	of	ADP
eurjchem-1955	245	6	this	this	DET
eurjchem-1955	245	7	work	work	NOUN
eurjchem-1955	245	8	beyond	beyond	ADP
eurjchem-1955	245	9	the	the	DET
eurjchem-1955	245	10	scope	scope	NOUN
eurjchem-1955	245	11	of	of	ADP
eurjchem-1955	245	12	the	the	DET
eurjchem-1955	245	13	license	license	NOUN
eurjchem-1955	245	14	(	(	PUNCT
eurjchem-1955	245	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1955	245	16	)	)	PUNCT
eurjchem-1955	245	17	are	be	AUX
eurjchem-1955	245	18	administered	administer	VERB
eurjchem-1955	245	19	by	by	ADP
eurjchem-1955	245	20	atlanta	atlanta	PROPN
eurjchem-1955	245	21	publishing	publishing	PROPN
eurjchem-1955	245	22	house	house	PROPN
eurjchem-1955	245	23	llc	llc	PROPN
eurjchem-1955	245	24	(	(	PUNCT
eurjchem-1955	245	25	european	european	PROPN
eurjchem-1955	245	26	journal	journal	PROPN
eurjchem-1955	245	27	of	of	ADP
eurjchem-1955	245	28	chemistry	chemistry	NOUN
eurjchem-1955	245	29	)	)	PUNCT
eurjchem-1955	245	30	.	.	PUNCT
eurjchem-1955	246	1	2020	2020	NUM
eurjchem-1955	246	2	–	–	PUNCT
eurjchem-1955	246	3	european	european	ADJ
eurjchem-1955	246	4	journal	journal	NOUN
eurjchem-1955	246	5	of	of	ADP
eurjchem-1955	246	6	chemistry	chemistry	NOUN
eurjchem-1955	246	7	–	–	PUNCT
eurjchem-1955	246	8	cc	cc	NOUN
eurjchem-1955	246	9	by	by	ADP
eurjchem-1955	246	10	nc	nc	PROPN
eurjchem-1955	246	11	–	–	PUNCT
eurjchem-1955	246	12	doi	doi	NOUN
eurjchem-1955	246	13	:	:	PUNCT
eurjchem-1955	246	14	10.5155	10.5155	NUM
eurjchem-1955	246	15	/	/	SYM
eurjchem-1955	246	16	eurjchem.11.1.30	eurjchem.11.1.30	NOUN
eurjchem-1955	246	17	-	-	PUNCT
eurjchem-1955	246	18	36.1950	36.1950	NUM
eurjchem-1955	246	19	http://orcid.org/0000-0002-8533-6245	http://orcid.org/0000-0002-8533-6245	PROPN
eurjchem-1955	246	20	http://orcid.org/0000-0002-6973-6361	http://orcid.org/0000-0002-6973-6361	NOUN
eurjchem-1955	246	21	http://orcid.org/0000-0002-0700-9898	http://orcid.org/0000-0002-0700-9898	PROPN
eurjchem-1955	247	1	http://orcid.org/0000-0001-8564-868x	http://orcid.org/0000-0001-8564-868x	PROPN
eurjchem-1955	247	2	http://orcid.org/0000-0003-0984-5969	http://orcid.org/0000-0003-0984-5969	ADV
eurjchem-1955	247	3	http://orcid.org/0000-0002-6146-5667	http://orcid.org/0000-0002-6146-5667	VERB
eurjchem-1955	247	4	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	PROPN
eurjchem-1955	247	5	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-1955	247	6	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1955	247	7	1	1	NUM
eurjchem-1955	247	8	.	.	PUNCT
eurjchem-1955	247	9	introduction	introduction	NOUN
eurjchem-1955	247	10	2	2	NUM
eurjchem-1955	247	11	.	.	PUNCT
eurjchem-1955	247	12	experimental	experimental	ADJ
eurjchem-1955	247	13	2.1	2.1	NUM
eurjchem-1955	247	14	.	.	PUNCT
eurjchem-1955	248	1	computer	computer	NOUN
eurjchem-1955	248	2	hardware	hardware	NOUN
eurjchem-1955	248	3	and	and	CCONJ
eurjchem-1955	248	4	software	software	NOUN
eurjchem-1955	248	5	2.2	2.2	NUM
eurjchem-1955	248	6	.	.	PUNCT
eurjchem-1955	249	1	virtual	virtual	ADJ
eurjchem-1955	249	2	docking	docking	NOUN
eurjchem-1955	249	3	method	method	NOUN
eurjchem-1955	249	4	2.2.1	2.2.1	NUM
eurjchem-1955	249	5	.	.	PUNCT
eurjchem-1955	249	6	equilibrium	equilibrium	NOUN
eurjchem-1955	249	7	geometry	geometry	NOUN
eurjchem-1955	249	8	of	of	ADP
eurjchem-1955	249	9	ligands	ligand	NOUN
eurjchem-1955	249	10	and	and	CCONJ
eurjchem-1955	249	11	protein	protein	NOUN
eurjchem-1955	249	12	structure	structure	NOUN
eurjchem-1955	249	13	2.2.2	2.2.2	NUM
eurjchem-1955	249	14	.	.	PUNCT
eurjchem-1955	249	15	virtual	virtual	ADJ
eurjchem-1955	249	16	docking	docking	NOUN
eurjchem-1955	249	17	study	study	NOUN
eurjchem-1955	249	18	2.2.3	2.2.3	NUM
eurjchem-1955	249	19	.	.	PUNCT
eurjchem-1955	250	1	docking	dock	VERB
eurjchem-1955	250	2	parameters	parameter	NOUN
eurjchem-1955	250	3	3	3	NUM
eurjchem-1955	250	4	.	.	NOUN
eurjchem-1955	250	5	results	result	NOUN
eurjchem-1955	250	6	and	and	CCONJ
eurjchem-1955	250	7	discussions	discussion	NOUN
eurjchem-1955	250	8	4	4	NUM
eurjchem-1955	250	9	.	.	PUNCT
eurjchem-1955	250	10	conclusion	conclusion	NOUN
eurjchem-1955	250	11	acknowledgments	acknowledgment	NOUN
eurjchem-1955	250	12	disclosure	disclosure	NOUN
eurjchem-1955	250	13	statement	statement	NOUN
eurjchem-1955	250	14	orcid	orcid	PROPN
eurjchem-1955	250	15	references	reference	NOUN
eurjchem-1955	250	16	printfield10	printfield10	NOUN
eurjchem-1955	250	17	:	:	PUNCT
eurjchem-1955	250	18	printfield11	printfield11	NOUN
eurjchem-1955	250	19	:	:	PUNCT
eurjchem-1955	250	20	printfield12	printfield12	PROPN
eurjchem-1955	250	21	:	:	PUNCT
eurjchem-1955	250	22	printfield13	printfield13	VERB
eurjchem-1955	250	23	:	:	PUNCT
eurjchem-1955	250	24	printfield14	printfield14	NOUN
eurjchem-1955	250	25	:	:	PUNCT
eurjchem-1955	250	26	printfield15	printfield15	NOUN
eurjchem-1955	250	27	:	:	PUNCT
eurjchem-1955	250	28	printfield16	printfield16	ADJ
eurjchem-1955	250	29	:	:	PUNCT
eurjchem-1955	250	30	printfield20	printfield20	VERB
eurjchem-1955	250	31	:	:	PUNCT
eurjchem-1955	250	32	printfield21	printfield21	ADJ
eurjchem-1955	250	33	:	:	PUNCT
eurjchem-1955	250	34	printfield22	printfield22	NOUN
eurjchem-1955	250	35	:	:	PUNCT
eurjchem-1955	250	36	printfield23	printfield23	NOUN
eurjchem-1955	250	37	:	:	PUNCT
eurjchem-1955	250	38	printfield24	printfield24	NOUN
eurjchem-1955	250	39	:	:	PUNCT
eurjchem-1955	250	40	printfield25	printfield25	NOUN
eurjchem-1955	250	41	:	:	PUNCT
eurjchem-1955	250	42	printfield26	printfield26	ADJ
eurjchem-1955	250	43	:	:	PUNCT