id	sid	tid	token	lemma	pos
easat-10874	1	1	edelweiss	edelweiss	PROPN
easat-10874	1	2	applied	apply	VERB
easat-10874	1	3	science	science	NOUN
easat-10874	1	4	and	and	CCONJ
easat-10874	1	5	technology	technology	NOUN
easat-10874	1	6	issn	issn	PROPN
easat-10874	1	7	:	:	PUNCT
easat-10874	1	8	2576	2576	NUM
easat-10874	1	9	-	-	SYM
easat-10874	1	10	8484	8484	NUM
easat-10874	1	11	vol	vol	NOUN
easat-10874	1	12	.	.	PROPN
easat-10874	2	1	9	9	NUM
easat-10874	2	2	,	,	PUNCT
easat-10874	2	3	no	no	INTJ
easat-10874	2	4	.	.	NOUN
easat-10874	2	5	11	11	NUM
easat-10874	2	6	,	,	PUNCT
easat-10874	2	7	360	360	NUM
easat-10874	2	8	-	-	SYM
easat-10874	2	9	386	386	NUM
easat-10874	2	10	2025	2025	NUM
easat-10874	2	11	publisher	publisher	NOUN
easat-10874	2	12	:	:	PUNCT
easat-10874	2	13	learning	learn	VERB
easat-10874	2	14	gate	gate	NOUN
easat-10874	2	15	doi	doi	PROPN
easat-10874	2	16	:	:	PUNCT
easat-10874	2	17	10.55214/2576	10.55214/2576	NUM
easat-10874	2	18	-	-	SYM
easat-10874	2	19	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	2	20	©	©	ADP
easat-10874	2	21	2025	2025	NUM
easat-10874	2	22	by	by	ADP
easat-10874	2	23	the	the	DET
easat-10874	2	24	authors	author	NOUN
easat-10874	2	25	;	;	PUNCT
easat-10874	2	26	licensee	licensee	PROPN
easat-10874	2	27	learning	learning	NOUN
easat-10874	2	28	gate	gate	NOUN
easat-10874	3	1	©	©	PROPN
easat-10874	3	2	2025	2025	NUM
easat-10874	3	3	by	by	ADP
easat-10874	3	4	the	the	DET
easat-10874	3	5	authors	author	NOUN
easat-10874	3	6	;	;	PUNCT
easat-10874	3	7	licensee	licensee	PROPN
easat-10874	3	8	learning	learning	NOUN
easat-10874	3	9	gate	gate	NOUN
easat-10874	3	10	history	history	NOUN
easat-10874	3	11	:	:	PUNCT
easat-10874	3	12	received	receive	VERB
easat-10874	3	13	:	:	PUNCT
easat-10874	3	14	27	27	NUM
easat-10874	3	15	august	august	PROPN
easat-10874	3	16	2025	2025	NUM
easat-10874	3	17	;	;	PUNCT
easat-10874	3	18	revised	revise	VERB
easat-10874	3	19	:	:	PUNCT
easat-10874	3	20	9	9	NUM
easat-10874	3	21	october	october	NOUN
easat-10874	3	22	2025	2025	NUM
easat-10874	3	23	;	;	PUNCT
easat-10874	3	24	accepted	accept	VERB
easat-10874	3	25	:	:	PUNCT
easat-10874	3	26	14	14	NUM
easat-10874	3	27	october2025	october2025	PROPN
easat-10874	3	28	;	;	PUNCT
easat-10874	3	29	published	publish	VERB
easat-10874	3	30	:	:	PUNCT
easat-10874	4	1	5	5	NUM
easat-10874	4	2	november	november	NOUN
easat-10874	4	3	2025	2025	NUM
easat-10874	4	4	*	*	PUNCT
easat-10874	4	5	correspondence	correspondence	NOUN
easat-10874	4	6	:	:	PUNCT
easat-10874	5	1	abel_oyebamiji@unilesa.edu	abel_oyebamiji@unilesa.edu	PROPN
easat-10874	5	2	bio	bio	NOUN
easat-10874	5	3	-	-	NOUN
easat-10874	5	4	evaluation	evaluation	NOUN
easat-10874	5	5	and	and	CCONJ
easat-10874	5	6	molecular	molecular	ADJ
easat-10874	5	7	modeling	modeling	NOUN
easat-10874	5	8	studies	study	NOUN
easat-10874	5	9	of	of	ADP
easat-10874	5	10	arg	arg	PROPN
easat-10874	5	11	-	-	PUNCT
easat-10874	5	12	trp	trp	PROPN
easat-10874	5	13	-	-	PUNCT
easat-10874	5	14	arg	arg	NOUN
easat-10874	5	15	-	-	PUNCT
easat-10874	5	16	based	base	VERB
easat-10874	5	17	peptides	peptide	NOUN
easat-10874	5	18	as	as	ADP
easat-10874	5	19	antimicrobial	antimicrobial	ADJ
easat-10874	5	20	agents	agent	NOUN
easat-10874	5	21	emmanuel	emmanuel	PROPN
easat-10874	5	22	t.	t.	PROPN
easat-10874	5	23	akintayo1	akintayo1	PROPN
easat-10874	5	24	,	,	PUNCT
easat-10874	5	25	olaoye	olaoye	ADJ
easat-10874	5	26	stella1	stella1	NOUN
easat-10874	5	27	,	,	PUNCT
easat-10874	5	28	sunday	sunday	PROPN
easat-10874	5	29	adewale	adewale	PROPN
easat-10874	5	30	akintelu2	akintelu2	PROPN
easat-10874	5	31	,	,	PUNCT
easat-10874	5	32	abel	abel	PROPN
easat-10874	5	33	kolawole	kolawole	PROPN
easat-10874	5	34	oyebamiji3,4	oyebamiji3,4	PROPN
easat-10874	5	35	*	*	PROPN
easat-10874	5	36	1department	1department	NUM
easat-10874	5	37	of	of	ADP
easat-10874	5	38	chemistry	chemistry	NOUN
easat-10874	5	39	,	,	PUNCT
easat-10874	5	40	ekiti	ekiti	PROPN
easat-10874	5	41	state	state	PROPN
easat-10874	5	42	university	university	PROPN
easat-10874	5	43	.	.	PUNCT
easat-10874	6	1	ado	ado	NOUN
easat-10874	6	2	-	-	PUNCT
easat-10874	6	3	ekiti	ekiti	PROPN
easat-10874	6	4	,	,	PUNCT
easat-10874	6	5	nigeria	nigeria	PROPN
easat-10874	6	6	;	;	PUNCT
easat-10874	6	7	emmanuelakintayo@eksu.edu.ng	emmanuelakintayo@eksu.edu.ng	NOUN
easat-10874	6	8	(	(	PUNCT
easat-10874	6	9	e.t.a	e.t.a	NOUN
easat-10874	6	10	.	.	PUNCT
easat-10874	6	11	)	)	PUNCT
easat-10874	6	12	.	.	PUNCT
easat-10874	7	1	2school	2school	NUM
easat-10874	7	2	of	of	ADP
easat-10874	7	3	chemistry	chemistry	NOUN
easat-10874	7	4	and	and	CCONJ
easat-10874	7	5	physics	physics	NOUN
easat-10874	7	6	,	,	PUNCT
easat-10874	7	7	university	university	PROPN
easat-10874	7	8	of	of	ADP
easat-10874	7	9	kwazulu	kwazulu	PROPN
easat-10874	7	10	-	-	PUNCT
easat-10874	7	11	natal	natal	ADJ
easat-10874	7	12	,	,	PUNCT
easat-10874	7	13	durban	durban	PROPN
easat-10874	7	14	,	,	PUNCT
easat-10874	7	15	south	south	PROPN
easat-10874	7	16	africa	africa	PROPN
easat-10874	7	17	.	.	PUNCT
easat-10874	8	1	3department	3department	NUM
easat-10874	8	2	of	of	ADP
easat-10874	8	3	industrial	industrial	ADJ
easat-10874	8	4	chemistry	chemistry	NOUN
easat-10874	8	5	,	,	PUNCT
easat-10874	8	6	university	university	NOUN
easat-10874	8	7	of	of	ADP
easat-10874	8	8	ilesa	ilesa	PROPN
easat-10874	8	9	,	,	PUNCT
easat-10874	8	10	ilesa	ilesa	PROPN
easat-10874	8	11	,	,	PUNCT
easat-10874	8	12	osun	osun	PROPN
easat-10874	8	13	state	state	PROPN
easat-10874	8	14	,	,	PUNCT
easat-10874	8	15	nigeria	nigeria	PROPN
easat-10874	8	16	;	;	PUNCT
easat-10874	8	17	abel_oyebamiji@unilesa.edu.ng	abel_oyebamiji@unilesa.edu.ng	PROPN
easat-10874	8	18	(	(	PUNCT
easat-10874	8	19	a.k.o	a.k.o	PROPN
easat-10874	8	20	.	.	PUNCT
easat-10874	8	21	)	)	PUNCT
easat-10874	8	22	.	.	PUNCT
easat-10874	9	1	4good	4good	NUM
easat-10874	9	2	health	health	NOUN
easat-10874	9	3	and	and	CCONJ
easat-10874	9	4	wellbeing	wellbee	VERB
easat-10874	9	5	research	research	NOUN
easat-10874	9	6	clusters	cluster	NOUN
easat-10874	9	7	(	(	PUNCT
easat-10874	9	8	sdg	sdg	NOUN
easat-10874	9	9	03	03	NUM
easat-10874	9	10	)	)	PUNCT
easat-10874	9	11	,	,	PUNCT
easat-10874	9	12	university	university	NOUN
easat-10874	9	13	of	of	ADP
easat-10874	9	14	ilesa	ilesa	PROPN
easat-10874	9	15	,	,	PUNCT
easat-10874	9	16	ilesa	ilesa	PROPN
easat-10874	9	17	,	,	PUNCT
easat-10874	9	18	osun	osun	PROPN
easat-10874	9	19	state	state	PROPN
easat-10874	9	20	,	,	PUNCT
easat-10874	9	21	nigeria	nigeria	PROPN
easat-10874	9	22	.	.	PUNCT
easat-10874	10	1	abstract	abstract	ADJ
easat-10874	10	2	:	:	PUNCT
easat-10874	10	3	the	the	DET
easat-10874	10	4	battle	battle	NOUN
easat-10874	10	5	against	against	ADP
easat-10874	10	6	bacterial	bacterial	ADJ
easat-10874	10	7	infections	infection	NOUN
easat-10874	10	8	in	in	ADP
easat-10874	10	9	both	both	CCONJ
easat-10874	10	10	young	young	ADJ
easat-10874	10	11	and	and	CCONJ
easat-10874	10	12	elderly	elderly	ADJ
easat-10874	10	13	populations	population	NOUN
easat-10874	10	14	continues	continue	VERB
easat-10874	10	15	to	to	PART
easat-10874	10	16	be	be	AUX
easat-10874	10	17	a	a	DET
easat-10874	10	18	focus	focus	NOUN
easat-10874	10	19	for	for	ADP
easat-10874	10	20	researchers	researcher	NOUN
easat-10874	10	21	worldwide	worldwide	ADV
easat-10874	10	22	.	.	PUNCT
easat-10874	11	1	this	this	DET
easat-10874	11	2	issue	issue	NOUN
easat-10874	11	3	has	have	AUX
easat-10874	11	4	led	lead	VERB
easat-10874	11	5	to	to	ADP
easat-10874	11	6	the	the	DET
easat-10874	11	7	discovery	discovery	NOUN
easat-10874	11	8	of	of	ADP
easat-10874	11	9	the	the	DET
easat-10874	11	10	most	most	ADV
easat-10874	11	11	effective	effective	ADJ
easat-10874	11	12	antibacterial	antibacterial	ADJ
easat-10874	11	13	arg	arg	NOUN
easat-10874	11	14	-	-	PUNCT
easat-10874	11	15	trp	trp	PROPN
easat-10874	11	16	-	-	PUNCT
easat-10874	11	17	arg	arg	NOUN
easat-10874	11	18	-	-	PUNCT
easat-10874	11	19	based	base	VERB
easat-10874	11	20	peptides	peptide	NOUN
easat-10874	11	21	through	through	ADP
easat-10874	11	22	density	density	NOUN
easat-10874	11	23	functional	functional	ADJ
easat-10874	11	24	theory	theory	NOUN
easat-10874	11	25	and	and	CCONJ
easat-10874	11	26	molecular	molecular	ADJ
easat-10874	11	27	modeling	modeling	NOUN
easat-10874	11	28	analysis	analysis	NOUN
easat-10874	11	29	.	.	PUNCT
easat-10874	12	1	in	in	ADP
easat-10874	12	2	this	this	DET
easat-10874	12	3	research	research	NOUN
easat-10874	12	4	,	,	PUNCT
easat-10874	12	5	the	the	DET
easat-10874	12	6	inhibitory	inhibitory	ADJ
easat-10874	12	7	effectiveness	effectiveness	NOUN
easat-10874	12	8	of	of	ADP
easat-10874	12	9	an	an	DET
easat-10874	12	10	arg	arg	PROPN
easat-10874	12	11	-	-	PUNCT
easat-10874	12	12	trp	trp	PROPN
easat-10874	12	13	-	-	PUNCT
easat-10874	12	14	arg	arg	NOUN
easat-10874	12	15	-	-	PUNCT
easat-10874	12	16	based	base	VERB
easat-10874	12	17	peptide	peptide	NOUN
easat-10874	12	18	was	be	AUX
easat-10874	12	19	evaluated	evaluate	VERB
easat-10874	12	20	using	use	VERB
easat-10874	12	21	in	in	ADP
easat-10874	12	22	silico	silico	NOUN
easat-10874	12	23	methods	method	NOUN
easat-10874	12	24	.	.	PUNCT
easat-10874	13	1	the	the	DET
easat-10874	13	2	optimization	optimization	NOUN
easat-10874	13	3	was	be	AUX
easat-10874	13	4	carried	carry	VERB
easat-10874	13	5	out	out	ADP
easat-10874	13	6	with	with	ADP
easat-10874	13	7	density	density	NOUN
easat-10874	13	8	functional	functional	ADJ
easat-10874	13	9	theory	theory	NOUN
easat-10874	13	10	,	,	PUNCT
easat-10874	13	11	while	while	SCONJ
easat-10874	13	12	molecular	molecular	ADJ
easat-10874	13	13	modeling	modeling	NOUN
easat-10874	13	14	studies	study	NOUN
easat-10874	13	15	were	be	AUX
easat-10874	13	16	performed	perform	VERB
easat-10874	13	17	using	use	VERB
easat-10874	13	18	induced	induce	VERB
easat-10874	13	19	-	-	PUNCT
easat-10874	13	20	fit	fit	ADJ
easat-10874	13	21	docking	docking	NOUN
easat-10874	13	22	and	and	CCONJ
easat-10874	13	23	molecular	molecular	ADJ
easat-10874	13	24	dynamics	dynamic	NOUN
easat-10874	13	25	simulations	simulation	NOUN
easat-10874	13	26	.	.	PUNCT
easat-10874	14	1	compounds	compound	VERB
easat-10874	14	2	3	3	NUM
easat-10874	14	3	and	and	CCONJ
easat-10874	14	4	4	4	NUM
easat-10874	14	5	showed	show	VERB
easat-10874	14	6	promising	promising	ADJ
easat-10874	14	7	responses	response	NOUN
easat-10874	14	8	regarding	regard	VERB
easat-10874	14	9	their	their	PRON
easat-10874	14	10	homo	homo	NOUN
easat-10874	14	11	energy	energy	NOUN
easat-10874	14	12	,	,	PUNCT
easat-10874	14	13	with	with	ADP
easat-10874	14	14	compound	compound	NOUN
easat-10874	14	15	3	3	NUM
easat-10874	14	16	displaying	display	VERB
easat-10874	14	17	a	a	DET
easat-10874	14	18	stronger	strong	ADJ
easat-10874	14	19	propensity	propensity	NOUN
easat-10874	14	20	for	for	ADP
easat-10874	14	21	favorable	favorable	ADJ
easat-10874	14	22	reactions	reaction	NOUN
easat-10874	14	23	in	in	ADP
easat-10874	14	24	terms	term	NOUN
easat-10874	14	25	of	of	ADP
easat-10874	14	26	energy	energy	NOUN
easat-10874	14	27	gap	gap	NOUN
easat-10874	14	28	.	.	PUNCT
easat-10874	15	1	it	it	PRON
easat-10874	15	2	was	be	AUX
easat-10874	15	3	noted	note	VERB
easat-10874	15	4	that	that	SCONJ
easat-10874	15	5	compound	compound	NOUN
easat-10874	15	6	10	10	NUM
easat-10874	15	7	,	,	PUNCT
easat-10874	15	8	which	which	PRON
easat-10874	15	9	possessed	possess	VERB
easat-10874	15	10	the	the	DET
easat-10874	15	11	lowest	low	ADJ
easat-10874	15	12	lumo	lumo	NOUN
easat-10874	15	13	energy	energy	NOUN
easat-10874	15	14	value	value	NOUN
easat-10874	15	15	,	,	PUNCT
easat-10874	15	16	had	have	VERB
easat-10874	15	17	the	the	DET
easat-10874	15	18	highest	high	ADJ
easat-10874	15	19	ability	ability	NOUN
easat-10874	15	20	to	to	PART
easat-10874	15	21	accept	accept	VERB
easat-10874	15	22	electrons	electron	NOUN
easat-10874	15	23	from	from	ADP
easat-10874	15	24	nearby	nearby	ADJ
easat-10874	15	25	compounds	compound	NOUN
easat-10874	15	26	.	.	PUNCT
easat-10874	16	1	additionally	additionally	ADV
easat-10874	16	2	,	,	PUNCT
easat-10874	16	3	when	when	SCONJ
easat-10874	16	4	testing	test	VERB
easat-10874	16	5	the	the	DET
easat-10874	16	6	compounds	compound	NOUN
easat-10874	16	7	against	against	ADP
easat-10874	16	8	thymidylate	thymidylate	NOUN
easat-10874	16	9	kinase	kinase	PROPN
easat-10874	16	10	from	from	ADP
easat-10874	16	11	gram	gram	NOUN
easat-10874	16	12	-	-	PUNCT
easat-10874	16	13	positive	positive	ADJ
easat-10874	16	14	bacteria	bacteria	NOUN
easat-10874	16	15	(	(	PUNCT
easat-10874	16	16	4hlc	4hlc	NOUN
easat-10874	16	17	)	)	PUNCT
easat-10874	16	18	and	and	CCONJ
easat-10874	16	19	gyrase	gyrase	PROPN
easat-10874	16	20	b	b	PROPN
easat-10874	16	21	from	from	ADP
easat-10874	16	22	thermus	thermus	PROPN
easat-10874	16	23	thermophilus	thermophilus	NOUN
easat-10874	16	24	(	(	PUNCT
easat-10874	16	25	1kij	1kij	NUM
easat-10874	16	26	)	)	PUNCT
easat-10874	16	27	,	,	PUNCT
easat-10874	16	28	compounds	compound	VERB
easat-10874	16	29	9	9	NUM
easat-10874	16	30	and	and	CCONJ
easat-10874	16	31	5	5	NUM
easat-10874	16	32	demonstrated	demonstrate	VERB
easat-10874	16	33	the	the	DET
easat-10874	16	34	most	most	ADV
easat-10874	16	35	significant	significant	ADJ
easat-10874	16	36	inhibition	inhibition	NOUN
easat-10874	16	37	of	of	ADP
easat-10874	16	38	the	the	DET
easat-10874	16	39	targeted	target	VERB
easat-10874	16	40	receptors	receptor	NOUN
easat-10874	16	41	.	.	PUNCT
easat-10874	17	1	molecular	molecular	ADJ
easat-10874	17	2	dynamics	dynamic	NOUN
easat-10874	17	3	simulations	simulation	NOUN
easat-10874	17	4	confirmed	confirm	VERB
easat-10874	17	5	the	the	DET
easat-10874	17	6	effectiveness	effectiveness	NOUN
easat-10874	17	7	of	of	ADP
easat-10874	17	8	the	the	DET
easat-10874	17	9	lead	lead	NOUN
easat-10874	17	10	compounds	compound	NOUN
easat-10874	17	11	as	as	SCONJ
easat-10874	17	12	predicted	predict	VERB
easat-10874	17	13	by	by	ADP
easat-10874	17	14	the	the	DET
easat-10874	17	15	docking	docking	NOUN
easat-10874	17	16	approach	approach	NOUN
easat-10874	17	17	.	.	PUNCT
easat-10874	18	1	furthermore	furthermore	ADV
easat-10874	18	2	,	,	PUNCT
easat-10874	18	3	the	the	DET
easat-10874	18	4	binding	bind	VERB
easat-10874	18	5	affinities	affinity	NOUN
easat-10874	18	6	were	be	AUX
easat-10874	18	7	predicted	predict	VERB
easat-10874	18	8	from	from	ADP
easat-10874	18	9	the	the	DET
easat-10874	18	10	calculated	calculate	VERB
easat-10874	18	11	descriptors	descriptor	NOUN
easat-10874	18	12	using	use	VERB
easat-10874	18	13	python	python	NOUN
easat-10874	18	14	(	(	PUNCT
easat-10874	18	15	v3.11	v3.11	PROPN
easat-10874	18	16	)	)	PUNCT
easat-10874	18	17	,	,	PUNCT
easat-10874	18	18	and	and	CCONJ
easat-10874	18	19	the	the	DET
easat-10874	18	20	results	result	NOUN
easat-10874	18	21	were	be	AUX
easat-10874	18	22	presented	present	VERB
easat-10874	18	23	accordingly	accordingly	ADV
easat-10874	18	24	.	.	PUNCT
easat-10874	19	1	keywords	keyword	NOUN
easat-10874	19	2	:	:	PUNCT
easat-10874	19	3	affinity	affinity	NOUN
easat-10874	19	4	,	,	PUNCT
easat-10874	19	5	amino	amino	NOUN
easat-10874	19	6	acids	acid	NOUN
easat-10874	19	7	,	,	PUNCT
easat-10874	19	8	bacterial	bacterial	ADJ
easat-10874	19	9	,	,	PUNCT
easat-10874	19	10	drugs	drug	NOUN
easat-10874	19	11	,	,	PUNCT
easat-10874	19	12	insilico	insilico	NOUN
easat-10874	19	13	.	.	PUNCT
easat-10874	20	1	1	1	X
easat-10874	20	2	.	.	X
easat-10874	20	3	introduction	introduction	NOUN
easat-10874	20	4	the	the	DET
easat-10874	20	5	reports	report	NOUN
easat-10874	20	6	by	by	ADP
easat-10874	20	7	various	various	ADJ
easat-10874	20	8	scientists	scientist	NOUN
easat-10874	20	9	have	have	AUX
easat-10874	20	10	revealed	reveal	VERB
easat-10874	20	11	peptides	peptide	NOUN
easat-10874	20	12	as	as	ADP
easat-10874	20	13	effective	effective	ADJ
easat-10874	20	14	disease	disease	NOUN
easat-10874	20	15	-	-	PUNCT
easat-10874	20	16	fighting	fight	VERB
easat-10874	20	17	agents	agent	NOUN
easat-10874	20	18	with	with	ADP
easat-10874	20	19	numerous	numerous	ADJ
easat-10874	20	20	biological	biological	ADJ
easat-10874	20	21	roles	role	NOUN
easat-10874	20	22	.	.	PUNCT
easat-10874	21	1	these	these	DET
easat-10874	21	2	agents	agent	NOUN
easat-10874	21	3	are	be	AUX
easat-10874	21	4	used	use	VERB
easat-10874	21	5	as	as	ADP
easat-10874	21	6	drugs	drug	NOUN
easat-10874	21	7	to	to	PART
easat-10874	21	8	cure	cure	VERB
easat-10874	21	9	various	various	ADJ
easat-10874	21	10	conditions	condition	NOUN
easat-10874	21	11	,	,	PUNCT
easat-10874	21	12	such	such	ADJ
easat-10874	21	13	as	as	ADP
easat-10874	21	14	hormonal	hormonal	ADJ
easat-10874	21	15	issues	issue	NOUN
easat-10874	21	16	,	,	PUNCT
easat-10874	21	17	bacterial	bacterial	ADJ
easat-10874	21	18	infections	infection	NOUN
easat-10874	21	19	,	,	PUNCT
easat-10874	21	20	tumors	tumor	NOUN
easat-10874	21	21	,	,	PUNCT
easat-10874	21	22	and	and	CCONJ
easat-10874	21	23	metabolic	metabolic	NOUN
easat-10874	21	24	disorders	disorder	NOUN
easat-10874	21	25	.	.	PUNCT
easat-10874	22	1	in	in	ADP
easat-10874	22	2	1920	1920	NUM
easat-10874	22	3	,	,	PUNCT
easat-10874	22	4	reports	report	NOUN
easat-10874	22	5	showed	show	VERB
easat-10874	22	6	that	that	SCONJ
easat-10874	22	7	scientists	scientist	NOUN
easat-10874	22	8	discovered	discover	VERB
easat-10874	22	9	insulin	insulin	NOUN
easat-10874	22	10	as	as	ADP
easat-10874	22	11	the	the	DET
easat-10874	22	12	first	first	ADJ
easat-10874	22	13	peptide	peptide	NOUN
easat-10874	22	14	-	-	PUNCT
easat-10874	22	15	based	base	VERB
easat-10874	22	16	drug	drug	NOUN
easat-10874	22	17	[	[	X
easat-10874	22	18	1	1	NUM
easat-10874	22	19	,	,	PUNCT
easat-10874	22	20	2	2	NUM
easat-10874	22	21	]	]	PUNCT
easat-10874	22	22	.	.	PUNCT
easat-10874	23	1	this	this	DET
easat-10874	23	2	class	class	NOUN
easat-10874	23	3	of	of	ADP
easat-10874	23	4	drugs	drug	NOUN
easat-10874	23	5	is	be	AUX
easat-10874	23	6	viewed	view	VERB
easat-10874	23	7	as	as	ADP
easat-10874	23	8	fairly	fairly	ADV
easat-10874	23	9	contemporary	contemporary	ADJ
easat-10874	23	10	and	and	CCONJ
easat-10874	23	11	comprehensive	comprehensive	ADJ
easat-10874	23	12	,	,	PUNCT
easat-10874	23	13	featuring	feature	VERB
easat-10874	23	14	more	more	ADJ
easat-10874	23	15	than	than	ADP
easat-10874	23	16	60	60	NUM
easat-10874	23	17	approved	approve	VERB
easat-10874	23	18	healing	healing	NOUN
easat-10874	23	19	agents	agent	NOUN
easat-10874	23	20	globally	globally	ADV
easat-10874	23	21	,	,	PUNCT
easat-10874	23	22	along	along	ADP
easat-10874	23	23	with	with	ADP
easat-10874	23	24	around	around	ADP
easat-10874	23	25	400	400	NUM
easat-10874	23	26	additional	additional	ADJ
easat-10874	23	27	agents	agent	NOUN
easat-10874	23	28	currently	currently	ADV
easat-10874	23	29	in	in	ADP
easat-10874	23	30	clinical	clinical	ADJ
easat-10874	23	31	trials	trial	NOUN
easat-10874	23	32	[	[	X
easat-10874	23	33	1	1	NUM
easat-10874	23	34	-	-	SYM
easat-10874	23	35	3	3	NUM
easat-10874	23	36	]	]	PUNCT
easat-10874	23	37	.	.	PUNCT
easat-10874	24	1	the	the	DET
easat-10874	24	2	attractiveness	attractiveness	NOUN
easat-10874	24	3	of	of	ADP
easat-10874	24	4	peptides	peptide	NOUN
easat-10874	24	5	arises	arise	VERB
easat-10874	24	6	from	from	ADP
easat-10874	24	7	their	their	PRON
easat-10874	24	8	remarkable	remarkable	ADJ
easat-10874	24	9	specificity	specificity	NOUN
easat-10874	24	10	and	and	CCONJ
easat-10874	24	11	effectiveness	effectiveness	NOUN
easat-10874	24	12	,	,	PUNCT
easat-10874	24	13	commonly	commonly	ADV
easat-10874	24	14	ascribed	ascribe	VERB
easat-10874	24	15	to	to	ADP
easat-10874	24	16	their	their	PRON
easat-10874	24	17	capacity	capacity	NOUN
easat-10874	24	18	to	to	PART
easat-10874	24	19	target	target	VERB
easat-10874	24	20	protein	protein	NOUN
easat-10874	24	21	–	–	PUNCT
easat-10874	24	22	protein	protein	NOUN
easat-10874	24	23	interactions	interaction	NOUN
easat-10874	24	24	that	that	SCONJ
easat-10874	24	25	small	small	ADJ
easat-10874	24	26	compounds	compound	NOUN
easat-10874	24	27	are	be	AUX
easat-10874	24	28	unable	unable	ADJ
easat-10874	24	29	to	to	PART
easat-10874	24	30	handle	handle	VERB
easat-10874	24	31	.	.	PUNCT
easat-10874	25	1	there	there	PRON
easat-10874	25	2	are	be	VERB
easat-10874	25	3	,	,	PUNCT
easat-10874	25	4	however	however	ADV
easat-10874	25	5	,	,	PUNCT
easat-10874	25	6	several	several	ADJ
easat-10874	25	7	shortcomings	shortcoming	NOUN
easat-10874	25	8	associated	associate	VERB
easat-10874	25	9	with	with	ADP
easat-10874	25	10	peptide	peptide	NOUN
easat-10874	25	11	-	-	PUNCT
easat-10874	25	12	based	base	VERB
easat-10874	25	13	medications	medication	NOUN
easat-10874	25	14	,	,	PUNCT
easat-10874	25	15	including	include	VERB
easat-10874	25	16	their	their	PRON
easat-10874	25	17	limited	limited	ADJ
easat-10874	25	18	stability	stability	NOUN
easat-10874	25	19	due	due	ADP
easat-10874	25	20	to	to	ADP
easat-10874	25	21	degradation	degradation	NOUN
easat-10874	25	22	by	by	ADP
easat-10874	25	23	proteases	protease	NOUN
easat-10874	25	24	,	,	PUNCT
easat-10874	25	25	brief	brief	ADJ
easat-10874	25	26	half	half	ADJ
easat-10874	25	27	-	-	PUNCT
easat-10874	25	28	lives	life	NOUN
easat-10874	25	29	,	,	PUNCT
easat-10874	25	30	low	low	ADJ
easat-10874	25	31	oral	oral	ADJ
easat-10874	25	32	bioavailability	bioavailability	NOUN
easat-10874	25	33	,	,	PUNCT
easat-10874	25	34	and	and	CCONJ
easat-10874	25	35	inadequate	inadequate	ADJ
easat-10874	25	36	cell	cell	NOUN
easat-10874	25	37	permeability	permeability	NOUN
easat-10874	25	38	[	[	X
easat-10874	25	39	4	4	NUM
easat-10874	25	40	]	]	PUNCT
easat-10874	25	41	.	.	PUNCT
easat-10874	26	1	in	in	ADP
easat-10874	26	2	tackling	tackle	VERB
easat-10874	26	3	these	these	DET
easat-10874	26	4	challenges	challenge	NOUN
easat-10874	26	5	,	,	PUNCT
easat-10874	26	6	novel	novel	ADJ
easat-10874	26	7	drug	drug	NOUN
easat-10874	26	8	designs	design	NOUN
easat-10874	26	9	such	such	ADJ
easat-10874	26	10	as	as	ADP
easat-10874	26	11	terminal	terminal	ADJ
easat-10874	26	12	modifications	modification	NOUN
easat-10874	26	13	and	and	CCONJ
easat-10874	26	14	lipid	lipid	NOUN
easat-10874	26	15	attachments	attachment	NOUN
easat-10874	26	16	,	,	PUNCT
easat-10874	26	17	along	along	ADP
easat-10874	26	18	with	with	ADP
easat-10874	26	19	drug	drug	NOUN
easat-10874	26	20	delivery	delivery	NOUN
easat-10874	26	21	techniques	technique	NOUN
easat-10874	26	22	combined	combine	VERB
easat-10874	26	23	with	with	ADP
easat-10874	26	24	computational	computational	ADJ
easat-10874	26	25	support	support	NOUN
easat-10874	26	26	approaches	approach	NOUN
easat-10874	26	27	,	,	PUNCT
easat-10874	26	28	have	have	AUX
easat-10874	26	29	been	be	AUX
easat-10874	26	30	suggested	suggest	VERB
easat-10874	26	31	to	to	PART
easat-10874	26	32	improve	improve	VERB
easat-10874	26	33	stability	stability	NOUN
easat-10874	26	34	,	,	PUNCT
easat-10874	26	35	affinity	affinity	NOUN
easat-10874	26	36	,	,	PUNCT
easat-10874	26	37	and	and	CCONJ
easat-10874	26	38	specificity	specificity	NOUN
easat-10874	26	39	[	[	X
easat-10874	26	40	5	5	NUM
easat-10874	26	41	-	-	SYM
easat-10874	26	42	7	7	NUM
easat-10874	26	43	]	]	PUNCT
easat-10874	26	44	.	.	PUNCT
easat-10874	27	1	bacteria	bacteria	NOUN
easat-10874	27	2	are	be	AUX
easat-10874	27	3	essential	essential	ADJ
easat-10874	27	4	organisms	organism	NOUN
easat-10874	27	5	for	for	ADP
easat-10874	27	6	human	human	ADJ
easat-10874	27	7	existence	existence	NOUN
easat-10874	27	8	.	.	PUNCT
easat-10874	28	1	they	they	PRON
easat-10874	28	2	contribute	contribute	VERB
easat-10874	28	3	significantly	significantly	ADV
easat-10874	28	4	to	to	ADP
easat-10874	28	5	numerous	numerous	ADJ
easat-10874	28	6	aspects	aspect	NOUN
easat-10874	28	7	related	relate	VERB
easat-10874	28	8	to	to	ADP
easat-10874	28	9	health	health	NOUN
easat-10874	28	10	,	,	PUNCT
easat-10874	28	11	bioengineering	bioengineering	NOUN
easat-10874	28	12	,	,	PUNCT
easat-10874	28	13	and	and	CCONJ
easat-10874	28	14	the	the	DET
easat-10874	28	15	environment	environment	NOUN
easat-10874	28	16	[	[	X
easat-10874	28	17	8	8	NUM
easat-10874	28	18	]	]	PUNCT
easat-10874	28	19	.	.	PUNCT
easat-10874	29	1	also	also	ADV
easat-10874	29	2	,	,	PUNCT
easat-10874	29	3	they	they	PRON
easat-10874	29	4	play	play	VERB
easat-10874	29	5	a	a	DET
easat-10874	29	6	crucial	crucial	ADJ
easat-10874	29	7	role	role	NOUN
easat-10874	29	8	in	in	ADP
easat-10874	29	9	https://orcid.org/0000-0002-9643-6313	https://orcid.org/0000-0002-9643-6313	PROPN
easat-10874	29	10	https://orcid.org/0009-0008-8280-1536	https://orcid.org/0009-0008-8280-1536	PROPN
easat-10874	29	11	https://orcid.org/0000-0001-8919-3029	https://orcid.org/0000-0001-8919-3029	PROPN
easat-10874	29	12	https://orcid.org/0000-0002-8932-6327	https://orcid.org/0000-0002-8932-6327	ADJ
easat-10874	29	13	361	361	NUM
easat-10874	29	14	edelweiss	edelweiss	PROPN
easat-10874	29	15	applied	apply	VERB
easat-10874	29	16	science	science	NOUN
easat-10874	29	17	and	and	CCONJ
easat-10874	29	18	technology	technology	NOUN
easat-10874	29	19	issn	issn	PROPN
easat-10874	29	20	:	:	PUNCT
easat-10874	29	21	2576	2576	NUM
easat-10874	29	22	-	-	SYM
easat-10874	29	23	8484	8484	NUM
easat-10874	29	24	vol	vol	NOUN
easat-10874	29	25	.	.	PROPN
easat-10874	30	1	9	9	NUM
easat-10874	30	2	,	,	PUNCT
easat-10874	30	3	no	no	INTJ
easat-10874	30	4	.	.	NOUN
easat-10874	30	5	11	11	NUM
easat-10874	30	6	:	:	PUNCT
easat-10874	30	7	360	360	NUM
easat-10874	30	8	-	-	SYM
easat-10874	30	9	386	386	NUM
easat-10874	30	10	,	,	PUNCT
easat-10874	30	11	2025	2025	NUM
easat-10874	30	12	doi	doi	NOUN
easat-10874	30	13	:	:	PUNCT
easat-10874	30	14	10.55214/2576	10.55214/2576	NUM
easat-10874	30	15	-	-	SYM
easat-10874	30	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	31	1	©	©	ADP
easat-10874	31	2	2025	2025	NUM
easat-10874	31	3	by	by	ADP
easat-10874	31	4	the	the	DET
easat-10874	31	5	authors	author	NOUN
easat-10874	31	6	;	;	PUNCT
easat-10874	31	7	licensee	licensee	PROPN
easat-10874	31	8	learning	learning	NOUN
easat-10874	31	9	gate	gate	VERB
easat-10874	31	10	essential	essential	ADJ
easat-10874	31	11	nutrient	nutrient	NOUN
easat-10874	31	12	cycles	cycle	NOUN
easat-10874	31	13	;	;	PUNCT
easat-10874	31	14	certain	certain	ADJ
easat-10874	31	15	types	type	NOUN
easat-10874	31	16	of	of	ADP
easat-10874	31	17	bacteria	bacteria	NOUN
easat-10874	31	18	convert	convert	VERB
easat-10874	31	19	atmospheric	atmospheric	ADJ
easat-10874	31	20	nitrogen	nitrogen	NOUN
easat-10874	31	21	into	into	ADP
easat-10874	31	22	forms	form	NOUN
easat-10874	31	23	that	that	PRON
easat-10874	31	24	can	can	AUX
easat-10874	31	25	be	be	AUX
easat-10874	31	26	absorbed	absorb	VERB
easat-10874	31	27	by	by	ADP
easat-10874	31	28	plants	plant	NOUN
easat-10874	31	29	,	,	PUNCT
easat-10874	31	30	while	while	SCONJ
easat-10874	31	31	decomposers	decomposer	NOUN
easat-10874	31	32	effectively	effectively	ADV
easat-10874	31	33	reprocess	reprocess	VERB
easat-10874	31	34	carbon	carbon	NOUN
easat-10874	31	35	,	,	PUNCT
easat-10874	31	36	phosphorus	phosphorus	NOUN
easat-10874	31	37	,	,	PUNCT
easat-10874	31	38	sulfur	sulfur	NOUN
easat-10874	31	39	,	,	PUNCT
easat-10874	31	40	and	and	CCONJ
easat-10874	31	41	other	other	ADJ
easat-10874	31	42	elements	element	NOUN
easat-10874	31	43	.	.	PUNCT
easat-10874	32	1	moreover	moreover	ADV
easat-10874	32	2	,	,	PUNCT
easat-10874	32	3	this	this	DET
easat-10874	32	4	stabilization	stabilization	NOUN
easat-10874	32	5	and	and	CCONJ
easat-10874	32	6	recycling	recycling	NOUN
easat-10874	32	7	of	of	ADP
easat-10874	32	8	nutrients	nutrient	NOUN
easat-10874	32	9	are	be	AUX
easat-10874	32	10	important	important	ADJ
easat-10874	32	11	for	for	ADP
easat-10874	32	12	a	a	DET
easat-10874	32	13	stable	stable	ADJ
easat-10874	32	14	ecosystem	ecosystem	NOUN
easat-10874	32	15	.	.	PUNCT
easat-10874	33	1	according	accord	VERB
easat-10874	33	2	to	to	ADP
easat-10874	33	3	bonadonna	bonadonna	PROPN
easat-10874	33	4	et	et	PROPN
easat-10874	33	5	al	al	PROPN
easat-10874	33	6	.	.	PUNCT
easat-10874	34	1	[	[	X
easat-10874	34	2	9	9	NUM
easat-10874	34	3	]	]	PUNCT
easat-10874	34	4	,	,	PUNCT
easat-10874	34	5	many	many	ADJ
easat-10874	34	6	enzymes	enzyme	NOUN
easat-10874	34	7	and	and	CCONJ
easat-10874	34	8	drugs	drug	NOUN
easat-10874	34	9	have	have	AUX
easat-10874	34	10	been	be	AUX
easat-10874	34	11	produced	produce	VERB
easat-10874	34	12	from	from	ADP
easat-10874	34	13	bacterial	bacterial	ADJ
easat-10874	34	14	modification	modification	NOUN
easat-10874	34	15	,	,	PUNCT
easat-10874	34	16	and	and	CCONJ
easat-10874	34	17	this	this	PRON
easat-10874	34	18	is	be	AUX
easat-10874	34	19	considered	consider	VERB
easat-10874	34	20	advantageous	advantageous	ADJ
easat-10874	34	21	due	due	ADP
easat-10874	34	22	to	to	ADP
easat-10874	34	23	the	the	DET
easat-10874	34	24	swift	swift	ADJ
easat-10874	34	25	duplication	duplication	NOUN
easat-10874	34	26	rate	rate	NOUN
easat-10874	34	27	of	of	ADP
easat-10874	34	28	bacteria	bacteria	NOUN
easat-10874	34	29	and	and	CCONJ
easat-10874	34	30	the	the	DET
easat-10874	34	31	probability	probability	NOUN
easat-10874	34	32	of	of	ADP
easat-10874	34	33	designing	design	VERB
easat-10874	34	34	nearly	nearly	ADV
easat-10874	34	35	limitless	limitless	ADJ
easat-10874	34	36	bacterial	bacterial	ADJ
easat-10874	34	37	genomes	genome	NOUN
easat-10874	34	38	.	.	PUNCT
easat-10874	35	1	also	also	ADV
easat-10874	35	2	,	,	PUNCT
easat-10874	35	3	as	as	SCONJ
easat-10874	35	4	reported	report	VERB
easat-10874	35	5	by	by	ADP
easat-10874	35	6	many	many	ADJ
easat-10874	35	7	scientists	scientist	NOUN
easat-10874	35	8	,	,	PUNCT
easat-10874	35	9	there	there	PRON
easat-10874	35	10	is	be	VERB
easat-10874	35	11	a	a	DET
easat-10874	35	12	need	need	NOUN
easat-10874	35	13	for	for	ADP
easat-10874	35	14	efficient	efficient	ADJ
easat-10874	35	15	drug	drug	NOUN
easat-10874	35	16	-	-	PUNCT
easat-10874	35	17	like	like	ADJ
easat-10874	35	18	compounds	compound	NOUN
easat-10874	35	19	to	to	PART
easat-10874	35	20	curb	curb	VERB
easat-10874	35	21	bacterial	bacterial	ADJ
easat-10874	35	22	resistance	resistance	NOUN
easat-10874	35	23	among	among	ADP
easat-10874	35	24	humans	human	NOUN
easat-10874	35	25	[	[	X
easat-10874	35	26	10	10	NUM
easat-10874	35	27	-	-	SYM
easat-10874	35	28	12	12	NUM
easat-10874	35	29	]	]	PUNCT
easat-10874	35	30	.	.	PUNCT
easat-10874	36	1	this	this	DET
easat-10874	36	2	work	work	NOUN
easat-10874	36	3	is	be	AUX
easat-10874	36	4	therefore	therefore	ADV
easat-10874	36	5	aimed	aim	VERB
easat-10874	36	6	at	at	ADP
easat-10874	36	7	investigating	investigate	VERB
easat-10874	36	8	the	the	DET
easat-10874	36	9	biochemical	biochemical	ADJ
easat-10874	36	10	mechanism	mechanism	NOUN
easat-10874	36	11	and	and	CCONJ
easat-10874	36	12	analysis	analysis	NOUN
easat-10874	36	13	of	of	ADP
easat-10874	36	14	arg	arg	PROPN
easat-10874	36	15	-	-	PUNCT
easat-10874	36	16	trp	trp	PROPN
easat-10874	36	17	-	-	PUNCT
easat-10874	36	18	arg	arg	NOUN
easat-10874	36	19	-	-	PUNCT
easat-10874	36	20	based	base	VERB
easat-10874	36	21	peptides	peptide	NOUN
easat-10874	36	22	against	against	ADP
easat-10874	36	23	gram	gram	NOUN
easat-10874	36	24	-	-	PUNCT
easat-10874	36	25	positive	positive	ADJ
easat-10874	36	26	thymidylate	thymidylate	NOUN
easat-10874	36	27	kinase	kinase	NOUN
easat-10874	36	28	(	(	PUNCT
easat-10874	36	29	4hlc	4hlc	NOUN
easat-10874	36	30	)	)	PUNCT
easat-10874	37	1	[	[	X
easat-10874	37	2	13	13	NUM
easat-10874	37	3	]	]	PUNCT
easat-10874	37	4	and	and	CCONJ
easat-10874	37	5	thermus	thermus	PROPN
easat-10874	37	6	thermophilus	thermophilus	PROPN
easat-10874	37	7	gyrase	gyrase	PROPN
easat-10874	37	8	b	b	PROPN
easat-10874	37	9	(	(	PUNCT
easat-10874	37	10	1kij	1kij	NUM
easat-10874	37	11	)	)	PUNCT
easat-10874	38	1	[	[	X
easat-10874	38	2	14	14	NUM
easat-10874	38	3	]	]	SYM
easat-10874	38	4	.	.	PUNCT
easat-10874	39	1	2	2	X
easat-10874	39	2	.	.	X
easat-10874	39	3	materials	material	NOUN
easat-10874	39	4	and	and	CCONJ
easat-10874	39	5	methods	method	NOUN
easat-10874	39	6	2.1	2.1	NUM
easat-10874	39	7	.	.	PUNCT
easat-10874	40	1	ligand	ligand	ADJ
easat-10874	40	2	optimization	optimization	NOUN
easat-10874	40	3	two	two	NUM
easat-10874	40	4	-	-	PUNCT
easat-10874	40	5	dimensional	dimensional	ADJ
easat-10874	40	6	structures	structure	NOUN
easat-10874	40	7	of	of	ADP
easat-10874	40	8	eleven	eleven	NUM
easat-10874	40	9	compounds	compound	NOUN
easat-10874	40	10	were	be	AUX
easat-10874	40	11	modeled	model	VERB
easat-10874	40	12	using	use	VERB
easat-10874	40	13	chemdraw	chemdraw	NOUN
easat-10874	40	14	22.2.0	22.2.0	PROPN
easat-10874	40	15	version	version	NOUN
easat-10874	40	16	,	,	PUNCT
easat-10874	40	17	and	and	CCONJ
easat-10874	40	18	they	they	PRON
easat-10874	40	19	were	be	AUX
easat-10874	40	20	further	far	ADV
easat-10874	40	21	converted	convert	VERB
easat-10874	40	22	to	to	ADP
easat-10874	40	23	three	three	NUM
easat-10874	40	24	-	-	PUNCT
easat-10874	40	25	dimensional	dimensional	ADJ
easat-10874	40	26	structures	structure	NOUN
easat-10874	40	27	for	for	ADP
easat-10874	40	28	optimization	optimization	NOUN
easat-10874	40	29	and	and	CCONJ
easat-10874	40	30	minimization	minimization	NOUN
easat-10874	40	31	processes	process	NOUN
easat-10874	40	32	using	use	VERB
easat-10874	40	33	the	the	DET
easat-10874	40	34	density	density	NOUN
easat-10874	40	35	functional	functional	ADJ
easat-10874	40	36	theory	theory	NOUN
easat-10874	40	37	method	method	NOUN
easat-10874	40	38	via	via	ADP
easat-10874	40	39	spartan	spartan	ADJ
easat-10874	40	40	14	14	NUM
easat-10874	40	41	software	software	NOUN
easat-10874	40	42	[	[	X
easat-10874	40	43	15	15	NUM
easat-10874	40	44	]	]	PUNCT
easat-10874	40	45	.	.	PUNCT
easat-10874	41	1	the	the	DET
easat-10874	41	2	compounds	compound	NOUN
easat-10874	41	3	were	be	AUX
easat-10874	41	4	assessed	assess	VERB
easat-10874	41	5	in	in	ADP
easat-10874	41	6	vacuum	vacuum	NOUN
easat-10874	41	7	,	,	PUNCT
easat-10874	41	8	and	and	CCONJ
easat-10874	41	9	energy	energy	NOUN
easat-10874	41	10	and	and	CCONJ
easat-10874	41	11	equilibrium	equilibrium	NOUN
easat-10874	41	12	geometry	geometry	NOUN
easat-10874	41	13	calculations	calculation	NOUN
easat-10874	41	14	at	at	ADP
easat-10874	41	15	the	the	DET
easat-10874	41	16	ground	ground	NOUN
easat-10874	41	17	state	state	NOUN
easat-10874	41	18	were	be	AUX
easat-10874	41	19	performed	perform	VERB
easat-10874	41	20	from	from	ADP
easat-10874	41	21	their	their	PRON
easat-10874	41	22	current	current	ADJ
easat-10874	41	23	geometry	geometry	NOUN
easat-10874	41	24	,	,	PUNCT
easat-10874	41	25	featuring	feature	VERB
easat-10874	41	26	a	a	DET
easat-10874	41	27	neutral	neutral	ADJ
easat-10874	41	28	charge	charge	NOUN
easat-10874	41	29	with	with	ADP
easat-10874	41	30	zero	zero	NUM
easat-10874	41	31	(	(	PUNCT
easat-10874	41	32	0	0	NUM
easat-10874	41	33	)	)	PUNCT
easat-10874	41	34	unpaired	unpaired	ADJ
easat-10874	41	35	electrons	electron	NOUN
easat-10874	41	36	.	.	PUNCT
easat-10874	42	1	the	the	DET
easat-10874	42	2	optimization	optimization	NOUN
easat-10874	42	3	completion	completion	NOUN
easat-10874	42	4	of	of	ADP
easat-10874	42	5	the	the	DET
easat-10874	42	6	analyzed	analyze	VERB
easat-10874	42	7	ligands	ligand	NOUN
easat-10874	42	8	was	be	AUX
easat-10874	42	9	found	find	VERB
easat-10874	42	10	to	to	PART
easat-10874	42	11	depend	depend	VERB
easat-10874	42	12	on	on	ADP
easat-10874	42	13	the	the	DET
easat-10874	42	14	number	number	NOUN
easat-10874	42	15	of	of	ADP
easat-10874	42	16	atoms	atom	NOUN
easat-10874	42	17	in	in	ADP
easat-10874	42	18	the	the	DET
easat-10874	42	19	compounds	compound	NOUN
easat-10874	42	20	.	.	PUNCT
easat-10874	43	1	therefore	therefore	ADV
easat-10874	43	2	,	,	PUNCT
easat-10874	43	3	several	several	ADJ
easat-10874	43	4	descriptors	descriptor	NOUN
easat-10874	43	5	that	that	PRON
easat-10874	43	6	explain	explain	VERB
easat-10874	43	7	the	the	DET
easat-10874	43	8	activities	activity	NOUN
easat-10874	43	9	and	and	CCONJ
easat-10874	43	10	reactivity	reactivity	NOUN
easat-10874	43	11	of	of	ADP
easat-10874	43	12	the	the	DET
easat-10874	43	13	studied	study	VERB
easat-10874	43	14	compounds	compound	NOUN
easat-10874	43	15	were	be	AUX
easat-10874	43	16	presented	present	VERB
easat-10874	43	17	and	and	CCONJ
easat-10874	43	18	prepared	prepare	VERB
easat-10874	43	19	for	for	ADP
easat-10874	43	20	additional	additional	ADJ
easat-10874	43	21	analysis	analysis	NOUN
easat-10874	43	22	.	.	PUNCT
easat-10874	44	1	the	the	DET
easat-10874	44	2	iupac	iupac	PROPN
easat-10874	44	3	name	name	NOUN
easat-10874	44	4	of	of	ADP
easat-10874	44	5	the	the	DET
easat-10874	44	6	studied	study	VERB
easat-10874	44	7	compound	compound	NOUN
easat-10874	44	8	and	and	CCONJ
easat-10874	44	9	its	its	PRON
easat-10874	44	10	2	2	NUM
easat-10874	44	11	-	-	PUNCT
easat-10874	44	12	d	d	NOUN
easat-10874	44	13	structures	structure	NOUN
easat-10874	44	14	are	be	AUX
easat-10874	44	15	shown	show	VERB
easat-10874	44	16	in	in	ADP
easat-10874	44	17	table	table	NOUN
easat-10874	44	18	1	1	NUM
easat-10874	44	19	.	.	PUNCT
easat-10874	44	20	362	362	NUM
easat-10874	44	21	edelweiss	edelweiss	PROPN
easat-10874	44	22	applied	apply	VERB
easat-10874	44	23	science	science	NOUN
easat-10874	44	24	and	and	CCONJ
easat-10874	44	25	technology	technology	NOUN
easat-10874	44	26	issn	issn	PROPN
easat-10874	44	27	:	:	PUNCT
easat-10874	44	28	2576	2576	NUM
easat-10874	44	29	-	-	SYM
easat-10874	44	30	8484	8484	NUM
easat-10874	44	31	vol	vol	NOUN
easat-10874	44	32	.	.	PROPN
easat-10874	45	1	9	9	NUM
easat-10874	45	2	,	,	PUNCT
easat-10874	45	3	no	no	INTJ
easat-10874	45	4	.	.	NOUN
easat-10874	45	5	11	11	NUM
easat-10874	45	6	:	:	PUNCT
easat-10874	45	7	360	360	NUM
easat-10874	45	8	-	-	SYM
easat-10874	45	9	386	386	NUM
easat-10874	45	10	,	,	PUNCT
easat-10874	45	11	2025	2025	NUM
easat-10874	45	12	doi	doi	NOUN
easat-10874	45	13	:	:	PUNCT
easat-10874	45	14	10.55214/2576	10.55214/2576	NUM
easat-10874	45	15	-	-	SYM
easat-10874	45	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	46	1	©	©	ADP
easat-10874	46	2	2025	2025	NUM
easat-10874	46	3	by	by	ADP
easat-10874	46	4	the	the	DET
easat-10874	46	5	authors	author	NOUN
easat-10874	46	6	;	;	PUNCT
easat-10874	46	7	licensee	licensee	PROPN
easat-10874	46	8	learning	learn	VERB
easat-10874	46	9	gate	gate	NOUN
easat-10874	46	10	table	table	NOUN
easat-10874	46	11	1	1	NUM
easat-10874	46	12	.	.	PUNCT
easat-10874	46	13	two	two	NUM
easat-10874	46	14	-	-	PUNCT
easat-10874	46	15	dimensional	dimensional	ADJ
easat-10874	46	16	structure	structure	NOUN
easat-10874	46	17	of	of	ADP
easat-10874	46	18	the	the	DET
easat-10874	46	19	studied	study	VERB
easat-10874	46	20	compounds	compound	NOUN
easat-10874	46	21	.	.	PUNCT
easat-10874	47	1	2	2	NUM
easat-10874	47	2	-	-	PUNCT
easat-10874	47	3	dimension	dimension	NOUN
easat-10874	47	4	iupac	iupac	NOUN
easat-10874	47	5	name	name	NOUN
easat-10874	47	6	1	1	NUM
easat-10874	47	7	1,1'-(((2s,5s,8s,11s,14s)-5-((1hindol-3	1,1'-(((2s,5s,8s,11s,14s)-5-((1hindol-3	NUM
easat-10874	47	8	-	-	PUNCT
easat-10874	47	9	yl	yl	NOUN
easat-10874	47	10	)	)	PUNCT
easat-10874	47	11	methyl)-14	methyl)-14	NOUN
easat-10874	47	12	-	-	PUNCT
easat-10874	47	13	isopropyl-11methyl-3,6,9,12,15	isopropyl-11methyl-3,6,9,12,15	ADV
easat-10874	47	14	-	-	PUNCT
easat-10874	47	15	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	NOUN
easat-10874	47	16	-	-	PUNCT
easat-10874	47	17	diyl	diyl	NOUN
easat-10874	47	18	)	)	PUNCT
easat-10874	47	19	bis(propane-3,1	bis(propane-3,1	NOUN
easat-10874	47	20	-	-	PUNCT
easat-10874	47	21	diyl	diyl	NOUN
easat-10874	47	22	)	)	PUNCT
easat-10874	47	23	)	)	PUNCT
easat-10874	47	24	diguanidine	diguanidine	VERB
easat-10874	47	25	2	2	NUM
easat-10874	47	26	2-((2s,5s,8s,11s,14s)-5,14	2-((2s,5s,8s,11s,14s)-5,14	NUM
easat-10874	47	27	-	-	PUNCT
easat-10874	47	28	bis(3guanidinopropyl)-11	bis(3guanidinopropyl)-11	VERB
easat-10874	47	29	-	-	ADJ
easat-10874	47	30	isopropyl-8methyl-3,6,9,12,15	isopropyl-8methyl-3,6,9,12,15	ADJ
easat-10874	47	31	-	-	PUNCT
easat-10874	47	32	pentaoxo1,4,7,10,13pentaazacyclopentadecan-2	pentaoxo1,4,7,10,13pentaazacyclopentadecan-2	NOUN
easat-10874	47	33	-	-	PUNCT
easat-10874	47	34	yl	yl	NOUN
easat-10874	47	35	)	)	PUNCT
easat-10874	47	36	acetic	acetic	ADJ
easat-10874	47	37	acid	acid	NOUN
easat-10874	47	38	363	363	NUM
easat-10874	47	39	edelweiss	edelweiss	PROPN
easat-10874	47	40	applied	apply	VERB
easat-10874	47	41	science	science	NOUN
easat-10874	47	42	and	and	CCONJ
easat-10874	47	43	technology	technology	NOUN
easat-10874	47	44	issn	issn	PROPN
easat-10874	47	45	:	:	PUNCT
easat-10874	47	46	2576	2576	NUM
easat-10874	47	47	-	-	SYM
easat-10874	47	48	8484	8484	NUM
easat-10874	47	49	vol	vol	NOUN
easat-10874	47	50	.	.	PROPN
easat-10874	48	1	9	9	NUM
easat-10874	48	2	,	,	PUNCT
easat-10874	48	3	no	no	INTJ
easat-10874	48	4	.	.	NOUN
easat-10874	48	5	11	11	NUM
easat-10874	48	6	:	:	PUNCT
easat-10874	48	7	360	360	NUM
easat-10874	48	8	-	-	SYM
easat-10874	48	9	386	386	NUM
easat-10874	48	10	,	,	PUNCT
easat-10874	48	11	2025	2025	NUM
easat-10874	48	12	doi	doi	NOUN
easat-10874	48	13	:	:	PUNCT
easat-10874	48	14	10.55214/2576	10.55214/2576	NUM
easat-10874	48	15	-	-	SYM
easat-10874	48	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	49	1	©	©	ADP
easat-10874	49	2	2025	2025	NUM
easat-10874	49	3	by	by	ADP
easat-10874	49	4	the	the	DET
easat-10874	49	5	authors	author	NOUN
easat-10874	49	6	;	;	PUNCT
easat-10874	49	7	licensee	licensee	PROPN
easat-10874	49	8	learning	learning	NOUN
easat-10874	49	9	gate	gate	NOUN
easat-10874	49	10	3	3	NUM
easat-10874	49	11	2-((2s,5s,8s,11s,14s)-5,14	2-((2s,5s,8s,11s,14s)-5,14	NUM
easat-10874	49	12	-	-	PUNCT
easat-10874	49	13	bis(3guanidinopropyl)-11	bis(3guanidinopropyl)-11	NOUN
easat-10874	49	14	-	-	PUNCT
easat-10874	49	15	isopropyl-8methyl-3	isopropyl-8methyl-3	NUM
easat-10874	49	16	-	-	PUNCT
easat-10874	49	17	methylene-6,9,12,15tetraoxo-1,4,7,10,13pentaazacyclopentadecan-2	methylene-6,9,12,15tetraoxo-1,4,7,10,13pentaazacyclopentadecan-2	NOUN
easat-10874	49	18	-	-	PUNCT
easat-10874	49	19	yl	yl	NOUN
easat-10874	49	20	)	)	PUNCT
easat-10874	49	21	acetamide	acetamide	NOUN
easat-10874	49	22	4	4	NUM
easat-10874	49	23	3-((2s,5s,8s,11s,14s)-5,14	3-((2s,5s,8s,11s,14s)-5,14	NUM
easat-10874	49	24	-	-	PUNCT
easat-10874	49	25	bis(3guanidinopropyl)-11	bis(3guanidinopropyl)-11	VERB
easat-10874	49	26	-	-	ADJ
easat-10874	49	27	isopropyl-8methyl-3,6,9,12,15	isopropyl-8methyl-3,6,9,12,15	ADJ
easat-10874	49	28	-	-	PUNCT
easat-10874	49	29	pentaoxo1,4,7,10,13pentaazacyclopentadecan-2	pentaoxo1,4,7,10,13pentaazacyclopentadecan-2	NOUN
easat-10874	49	30	-	-	PUNCT
easat-10874	49	31	yl	yl	NOUN
easat-10874	49	32	)	)	PUNCT
easat-10874	49	33	propanamide	propanamide	VERB
easat-10874	49	34	364	364	NUM
easat-10874	49	35	edelweiss	edelweiss	PROPN
easat-10874	49	36	applied	apply	VERB
easat-10874	49	37	science	science	NOUN
easat-10874	49	38	and	and	CCONJ
easat-10874	49	39	technology	technology	NOUN
easat-10874	49	40	issn	issn	PROPN
easat-10874	49	41	:	:	PUNCT
easat-10874	49	42	2576	2576	NUM
easat-10874	49	43	-	-	SYM
easat-10874	49	44	8484	8484	NUM
easat-10874	49	45	vol	vol	NOUN
easat-10874	49	46	.	.	PROPN
easat-10874	50	1	9	9	NUM
easat-10874	50	2	,	,	PUNCT
easat-10874	50	3	no	no	INTJ
easat-10874	50	4	.	.	NOUN
easat-10874	50	5	11	11	NUM
easat-10874	50	6	:	:	PUNCT
easat-10874	50	7	360	360	NUM
easat-10874	50	8	-	-	SYM
easat-10874	50	9	386	386	NUM
easat-10874	50	10	,	,	PUNCT
easat-10874	50	11	2025	2025	NUM
easat-10874	50	12	doi	doi	NOUN
easat-10874	50	13	:	:	PUNCT
easat-10874	50	14	10.55214/2576	10.55214/2576	NUM
easat-10874	50	15	-	-	SYM
easat-10874	50	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	51	1	©	©	ADP
easat-10874	51	2	2025	2025	NUM
easat-10874	51	3	by	by	ADP
easat-10874	51	4	the	the	DET
easat-10874	51	5	authors	author	NOUN
easat-10874	51	6	;	;	PUNCT
easat-10874	51	7	licensee	licensee	PROPN
easat-10874	51	8	learning	learning	NOUN
easat-10874	51	9	gate	gate	VERB
easat-10874	51	10	5	5	NUM
easat-10874	51	11	1,1'-(((2s,5r,8s,11s,14s)-14isopropyl-5-(mercaptomethyl)-11methyl-3,6,9,12,15	1,1'-(((2s,5r,8s,11s,14s)-14isopropyl-5-(mercaptomethyl)-11methyl-3,6,9,12,15	NUM
easat-10874	51	12	-	-	PUNCT
easat-10874	51	13	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	NOUN
easat-10874	51	14	-	-	PUNCT
easat-10874	51	15	diyl	diyl	NOUN
easat-10874	51	16	)	)	PUNCT
easat-10874	51	17	bis(propane-3,1	bis(propane-3,1	NOUN
easat-10874	51	18	-	-	PUNCT
easat-10874	51	19	diyl	diyl	NOUN
easat-10874	51	20	)	)	PUNCT
easat-10874	51	21	)	)	PUNCT
easat-10874	51	22	diguanidine	diguanidine	ADP
easat-10874	51	23	6	6	NUM
easat-10874	51	24	1,1'-(((2s,5s,8s,11s,14s)-14isopropyl-11	1,1'-(((2s,5s,8s,11s,14s)-14isopropyl-11	NUM
easat-10874	51	25	-	-	PUNCT
easat-10874	51	26	methyl-5-(2(methylthio	methyl-5-(2(methylthio	NOUN
easat-10874	51	27	)	)	PUNCT
easat-10874	51	28	ethyl)-3,6,9,12,15pentaoxo-1,4,7,10,13pentaazacyclopentadecane-2,8	ethyl)-3,6,9,12,15pentaoxo-1,4,7,10,13pentaazacyclopentadecane-2,8	NOUN
easat-10874	51	29	-	-	PUNCT
easat-10874	51	30	diyl	diyl	NOUN
easat-10874	51	31	)	)	PUNCT
easat-10874	51	32	bis(propane-3,1	bis(propane-3,1	NOUN
easat-10874	51	33	-	-	PUNCT
easat-10874	51	34	diyl	diyl	NOUN
easat-10874	51	35	)	)	PUNCT
easat-10874	51	36	)	)	PUNCT
easat-10874	52	1	diguanidine	diguanidine	VERB
easat-10874	52	2	365	365	NUM
easat-10874	52	3	edelweiss	edelweiss	PROPN
easat-10874	52	4	applied	apply	VERB
easat-10874	52	5	science	science	NOUN
easat-10874	52	6	and	and	CCONJ
easat-10874	52	7	technology	technology	NOUN
easat-10874	52	8	issn	issn	PROPN
easat-10874	52	9	:	:	PUNCT
easat-10874	52	10	2576	2576	NUM
easat-10874	52	11	-	-	SYM
easat-10874	52	12	8484	8484	NUM
easat-10874	52	13	vol	vol	NOUN
easat-10874	52	14	.	.	PROPN
easat-10874	53	1	9	9	NUM
easat-10874	53	2	,	,	PUNCT
easat-10874	53	3	no	no	INTJ
easat-10874	53	4	.	.	NOUN
easat-10874	53	5	11	11	NUM
easat-10874	53	6	:	:	PUNCT
easat-10874	53	7	360	360	NUM
easat-10874	53	8	-	-	SYM
easat-10874	53	9	386	386	NUM
easat-10874	53	10	,	,	PUNCT
easat-10874	53	11	2025	2025	NUM
easat-10874	53	12	doi	doi	NOUN
easat-10874	53	13	:	:	PUNCT
easat-10874	53	14	10.55214/2576	10.55214/2576	NUM
easat-10874	53	15	-	-	SYM
easat-10874	53	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	54	1	©	©	ADP
easat-10874	54	2	2025	2025	NUM
easat-10874	54	3	by	by	ADP
easat-10874	54	4	the	the	DET
easat-10874	54	5	authors	author	NOUN
easat-10874	54	6	;	;	PUNCT
easat-10874	54	7	licensee	licensee	PROPN
easat-10874	54	8	learning	learning	NOUN
easat-10874	54	9	gate	gate	VERB
easat-10874	54	10	7	7	NUM
easat-10874	54	11	3-((2s,5s,8s,11s,14s)-5,14	3-((2s,5s,8s,11s,14s)-5,14	NUM
easat-10874	54	12	-	-	PUNCT
easat-10874	54	13	bis(3guanidinopropyl)-11	bis(3guanidinopropyl)-11	VERB
easat-10874	54	14	-	-	ADJ
easat-10874	54	15	isopropyl-8methyl-3,6,9,12,15	isopropyl-8methyl-3,6,9,12,15	ADJ
easat-10874	54	16	-	-	PUNCT
easat-10874	54	17	pentaoxo1,4,7,10,13pentaazacyclopentadecan-2	pentaoxo1,4,7,10,13pentaazacyclopentadecan-2	NOUN
easat-10874	54	18	-	-	PUNCT
easat-10874	54	19	yl	yl	NOUN
easat-10874	54	20	)	)	PUNCT
easat-10874	54	21	propanoic	propanoic	NOUN
easat-10874	54	22	acid	acid	NOUN
easat-10874	54	23	8	8	NUM
easat-10874	54	24	1,1'-(((2s,5s,8s,11s,14s)-5-(4aminobutyl)-14	1,1'-(((2s,5s,8s,11s,14s)-5-(4aminobutyl)-14	NUM
easat-10874	54	25	-	-	PUNCT
easat-10874	54	26	isopropyl-11methyl-3,6,9,12,15	isopropyl-11methyl-3,6,9,12,15	PRON
easat-10874	54	27	-	-	PUNCT
easat-10874	54	28	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	NOUN
easat-10874	54	29	-	-	PUNCT
easat-10874	54	30	diyl	diyl	NOUN
easat-10874	54	31	)	)	PUNCT
easat-10874	54	32	bis(propane-3,1	bis(propane-3,1	NOUN
easat-10874	54	33	-	-	PUNCT
easat-10874	54	34	diyl	diyl	NOUN
easat-10874	54	35	)	)	PUNCT
easat-10874	54	36	)	)	PUNCT
easat-10874	55	1	diguanidine	diguanidine	ADP
easat-10874	55	2	366	366	NUM
easat-10874	55	3	edelweiss	edelweiss	PROPN
easat-10874	55	4	applied	apply	VERB
easat-10874	55	5	science	science	NOUN
easat-10874	55	6	and	and	CCONJ
easat-10874	55	7	technology	technology	NOUN
easat-10874	55	8	issn	issn	PROPN
easat-10874	55	9	:	:	PUNCT
easat-10874	55	10	2576	2576	NUM
easat-10874	55	11	-	-	SYM
easat-10874	55	12	8484	8484	NUM
easat-10874	55	13	vol	vol	NOUN
easat-10874	55	14	.	.	PROPN
easat-10874	56	1	9	9	NUM
easat-10874	56	2	,	,	PUNCT
easat-10874	56	3	no	no	INTJ
easat-10874	56	4	.	.	NOUN
easat-10874	56	5	11	11	NUM
easat-10874	56	6	:	:	PUNCT
easat-10874	56	7	360	360	NUM
easat-10874	56	8	-	-	SYM
easat-10874	56	9	386	386	NUM
easat-10874	56	10	,	,	PUNCT
easat-10874	56	11	2025	2025	NUM
easat-10874	56	12	doi	doi	NOUN
easat-10874	56	13	:	:	PUNCT
easat-10874	56	14	10.55214/2576	10.55214/2576	NUM
easat-10874	56	15	-	-	SYM
easat-10874	56	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	57	1	©	©	ADP
easat-10874	57	2	2025	2025	NUM
easat-10874	57	3	by	by	ADP
easat-10874	57	4	the	the	DET
easat-10874	57	5	authors	author	NOUN
easat-10874	57	6	;	;	PUNCT
easat-10874	57	7	licensee	licensee	PROPN
easat-10874	57	8	learning	learning	NOUN
easat-10874	57	9	gate	gate	NOUN
easat-10874	57	10	9	9	NUM
easat-10874	57	11	1,1'-(((2s,5s,8s,11s,14s)-5-((r)-1hydroxyethyl)-14	1,1'-(((2s,5s,8s,11s,14s)-5-((r)-1hydroxyethyl)-14	NUM
easat-10874	57	12	-	-	PUNCT
easat-10874	57	13	isopropyl-11methyl-3,6,9,12,15	isopropyl-11methyl-3,6,9,12,15	ADV
easat-10874	57	14	-	-	PUNCT
easat-10874	57	15	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	NOUN
easat-10874	57	16	-	-	PUNCT
easat-10874	57	17	diyl	diyl	NOUN
easat-10874	57	18	)	)	PUNCT
easat-10874	57	19	bis	bis	NOUN
easat-10874	57	20	(	(	PUNCT
easat-10874	57	21	propane-3,1	propane-3,1	NOUN
easat-10874	57	22	-	-	PUNCT
easat-10874	57	23	diyl	diyl	NOUN
easat-10874	57	24	)	)	PUNCT
easat-10874	57	25	)	)	PUNCT
easat-10874	57	26	diguanidine	diguanidine	VERB
easat-10874	57	27	10	10	NUM
easat-10874	57	28	1,1'-(((2s,5s,8s,11s,14s)-5(hydroxymethyl)-14	1,1'-(((2s,5s,8s,11s,14s)-5(hydroxymethyl)-14	NUM
easat-10874	57	29	-	-	PUNCT
easat-10874	57	30	isopropyl-11methyl-3,6,9,12,15	isopropyl-11methyl-3,6,9,12,15	ADV
easat-10874	57	31	-	-	PUNCT
easat-10874	57	32	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	NOUN
easat-10874	57	33	-	-	PUNCT
easat-10874	57	34	diyl	diyl	NOUN
easat-10874	57	35	)	)	PUNCT
easat-10874	57	36	bis(propane-3,1	bis(propane-3,1	NOUN
easat-10874	57	37	-	-	PUNCT
easat-10874	57	38	diyl	diyl	NOUN
easat-10874	57	39	)	)	PUNCT
easat-10874	57	40	)	)	PUNCT
easat-10874	58	1	diguanidine	diguanidine	ADP
easat-10874	58	2	367	367	NUM
easat-10874	58	3	edelweiss	edelweiss	PROPN
easat-10874	58	4	applied	apply	VERB
easat-10874	58	5	science	science	NOUN
easat-10874	58	6	and	and	CCONJ
easat-10874	58	7	technology	technology	NOUN
easat-10874	58	8	issn	issn	PROPN
easat-10874	58	9	:	:	PUNCT
easat-10874	58	10	2576	2576	NUM
easat-10874	58	11	-	-	SYM
easat-10874	58	12	8484	8484	NUM
easat-10874	58	13	vol	vol	NOUN
easat-10874	58	14	.	.	PROPN
easat-10874	59	1	9	9	NUM
easat-10874	59	2	,	,	PUNCT
easat-10874	59	3	no	no	INTJ
easat-10874	59	4	.	.	NOUN
easat-10874	59	5	11	11	NUM
easat-10874	59	6	:	:	PUNCT
easat-10874	59	7	360	360	NUM
easat-10874	59	8	-	-	SYM
easat-10874	59	9	386	386	NUM
easat-10874	59	10	,	,	PUNCT
easat-10874	59	11	2025	2025	NUM
easat-10874	59	12	doi	doi	NOUN
easat-10874	59	13	:	:	PUNCT
easat-10874	59	14	10.55214/2576	10.55214/2576	NUM
easat-10874	59	15	-	-	SYM
easat-10874	59	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	60	1	©	©	ADP
easat-10874	60	2	2025	2025	NUM
easat-10874	60	3	by	by	ADP
easat-10874	60	4	the	the	DET
easat-10874	60	5	authors	author	NOUN
easat-10874	60	6	;	;	PUNCT
easat-10874	60	7	licensee	licensee	PROPN
easat-10874	60	8	learning	learning	NOUN
easat-10874	60	9	gate	gate	VERB
easat-10874	60	10	11	11	NUM
easat-10874	60	11	1,1'-(((2s,5s,8s,11s,14s)-5-((1himidazol-4	1,1'-(((2s,5s,8s,11s,14s)-5-((1himidazol-4	NUM
easat-10874	60	12	-	-	PUNCT
easat-10874	60	13	yl	yl	NOUN
easat-10874	60	14	)	)	PUNCT
easat-10874	60	15	methyl)-14	methyl)-14	NOUN
easat-10874	60	16	-	-	PUNCT
easat-10874	60	17	isopropyl11	isopropyl11	NOUN
easat-10874	60	18	-	-	PUNCT
easat-10874	60	19	methyl-3,6,9,12,15	methyl-3,6,9,12,15	NOUN
easat-10874	60	20	-	-	PUNCT
easat-10874	60	21	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	pentaoxo1,4,7,10,13pentaazacyclopentadecane-2,8	ADJ
easat-10874	60	22	-	-	PUNCT
easat-10874	60	23	diyl	diyl	NOUN
easat-10874	60	24	)	)	PUNCT
easat-10874	60	25	bis(propane-3,1	bis(propane-3,1	NOUN
easat-10874	60	26	-	-	PUNCT
easat-10874	60	27	diyl	diyl	NOUN
easat-10874	60	28	)	)	PUNCT
easat-10874	60	29	)	)	PUNCT
easat-10874	60	30	diguanidine	diguanidine	ADP
easat-10874	60	31	2.2	2.2	NUM
easat-10874	60	32	.	.	PUNCT
easat-10874	61	1	induced	induce	VERB
easat-10874	61	2	-	-	PUNCT
easat-10874	61	3	fit	fit	ADJ
easat-10874	61	4	docking	docking	NOUN
easat-10874	61	5	examination	examination	NOUN
easat-10874	61	6	in	in	ADP
easat-10874	61	7	this	this	DET
easat-10874	61	8	study	study	NOUN
easat-10874	61	9	,	,	PUNCT
easat-10874	61	10	eleven	eleven	NUM
easat-10874	61	11	peptide	peptide	NOUN
easat-10874	61	12	-	-	PUNCT
easat-10874	61	13	based	base	VERB
easat-10874	61	14	compounds	compound	NOUN
easat-10874	61	15	were	be	AUX
easat-10874	61	16	optimized	optimize	VERB
easat-10874	61	17	and	and	CCONJ
easat-10874	61	18	further	far	ADV
easat-10874	61	19	refined	refined	ADJ
easat-10874	61	20	using	use	VERB
easat-10874	61	21	the	the	DET
easat-10874	61	22	quikprep	quikprep	NOUN
easat-10874	61	23	tool	tool	NOUN
easat-10874	61	24	within	within	ADP
easat-10874	61	25	molecular	molecular	ADJ
easat-10874	61	26	operating	operating	NOUN
easat-10874	61	27	environments	environment	NOUN
easat-10874	61	28	(	(	PUNCT
easat-10874	61	29	moe	moe	NOUN
easat-10874	61	30	)	)	PUNCT
easat-10874	61	31	,	,	PUNCT
easat-10874	61	32	and	and	CCONJ
easat-10874	61	33	the	the	DET
easat-10874	61	34	results	result	NOUN
easat-10874	61	35	were	be	AUX
easat-10874	61	36	saved	save	VERB
easat-10874	61	37	in	in	ADP
easat-10874	61	38	.moe	.moe	NOUN
easat-10874	61	39	format	format	NOUN
easat-10874	61	40	for	for	ADP
easat-10874	61	41	subsequent	subsequent	ADJ
easat-10874	61	42	docking	docking	NOUN
easat-10874	61	43	analysis	analysis	NOUN
easat-10874	61	44	.	.	PUNCT
easat-10874	62	1	additionally	additionally	ADV
easat-10874	62	2	,	,	PUNCT
easat-10874	62	3	thymidylate	thymidylate	VERB
easat-10874	62	4	kinase	kinase	NOUN
easat-10874	62	5	from	from	ADP
easat-10874	62	6	gram	gram	NOUN
easat-10874	62	7	-	-	PUNCT
easat-10874	62	8	positive	positive	ADJ
easat-10874	62	9	bacteria	bacteria	NOUN
easat-10874	62	10	(	(	PUNCT
easat-10874	62	11	4hlc	4hlc	NOUN
easat-10874	62	12	)	)	PUNCT
easat-10874	62	13	and	and	CCONJ
easat-10874	62	14	gyrase	gyrase	PROPN
easat-10874	62	15	b	b	PROPN
easat-10874	62	16	from	from	ADP
easat-10874	62	17	thermus	thermus	PROPN
easat-10874	62	18	thermophilus	thermophilus	NOUN
easat-10874	62	19	(	(	PUNCT
easat-10874	62	20	1kij	1kij	NUM
easat-10874	62	21	)	)	PUNCT
easat-10874	62	22	were	be	AUX
easat-10874	62	23	retrieved	retrieve	VERB
easat-10874	62	24	from	from	ADP
easat-10874	62	25	the	the	DET
easat-10874	62	26	protein	protein	NOUN
easat-10874	62	27	data	datum	NOUN
easat-10874	62	28	bank	bank	NOUN
easat-10874	62	29	and	and	CCONJ
easat-10874	62	30	processed	process	VERB
easat-10874	62	31	with	with	ADP
easat-10874	62	32	the	the	DET
easat-10874	62	33	sequence	sequence	NOUN
easat-10874	62	34	editor	editor	NOUN
easat-10874	62	35	to	to	PART
easat-10874	62	36	eliminate	eliminate	VERB
easat-10874	62	37	water	water	NOUN
easat-10874	62	38	molecules	molecule	NOUN
easat-10874	62	39	and	and	CCONJ
easat-10874	62	40	any	any	DET
easat-10874	62	41	small	small	ADJ
easat-10874	62	42	molecules	molecule	NOUN
easat-10874	62	43	that	that	PRON
easat-10874	62	44	accompanied	accompany	VERB
easat-10874	62	45	the	the	DET
easat-10874	62	46	receptors	receptor	NOUN
easat-10874	62	47	.	.	PUNCT
easat-10874	63	1	the	the	DET
easat-10874	63	2	cleaned	clean	VERB
easat-10874	63	3	receptors	receptor	NOUN
easat-10874	63	4	were	be	AUX
easat-10874	63	5	then	then	ADV
easat-10874	63	6	repaired	repair	VERB
easat-10874	63	7	using	use	VERB
easat-10874	63	8	the	the	DET
easat-10874	63	9	quickprep	quickprep	NOUN
easat-10874	63	10	tool	tool	NOUN
easat-10874	63	11	before	before	ADP
easat-10874	63	12	determining	determine	VERB
easat-10874	63	13	the	the	DET
easat-10874	63	14	binding	bind	VERB
easat-10874	63	15	site	site	NOUN
easat-10874	63	16	location	location	NOUN
easat-10874	63	17	.	.	PUNCT
easat-10874	64	1	the	the	DET
easat-10874	64	2	potential	potential	ADJ
easat-10874	64	3	binding	bind	VERB
easat-10874	64	4	sites	site	NOUN
easat-10874	64	5	for	for	ADP
easat-10874	64	6	the	the	DET
easat-10874	64	7	two	two	NUM
easat-10874	64	8	receptors	receptor	NOUN
easat-10874	64	9	were	be	AUX
easat-10874	64	10	identified	identify	VERB
easat-10874	64	11	based	base	VERB
easat-10874	64	12	on	on	ADP
easat-10874	64	13	factors	factor	NOUN
easat-10874	64	14	such	such	ADJ
easat-10874	64	15	as	as	ADP
easat-10874	64	16	ligand	ligand	NOUN
easat-10874	64	17	binding	bind	VERB
easat-10874	64	18	propensity	propensity	NOUN
easat-10874	64	19	(	(	PUNCT
easat-10874	64	20	plb	plb	PROPN
easat-10874	64	21	)	)	PUNCT
easat-10874	64	22	,	,	PUNCT
easat-10874	64	23	dimensions	dimension	NOUN
easat-10874	64	24	,	,	PUNCT
easat-10874	64	25	hydrophobic	hydrophobic	NOUN
easat-10874	64	26	areas	area	NOUN
easat-10874	64	27	,	,	PUNCT
easat-10874	64	28	surface	surface	NOUN
easat-10874	64	29	features	feature	NOUN
easat-10874	64	30	,	,	PUNCT
easat-10874	64	31	and	and	CCONJ
easat-10874	64	32	relevant	relevant	ADJ
easat-10874	64	33	amino	amino	NOUN
easat-10874	64	34	acid	acid	NOUN
easat-10874	64	35	residues	residue	NOUN
easat-10874	64	36	,	,	PUNCT
easat-10874	64	37	utilizing	utilize	VERB
easat-10874	64	38	the	the	DET
easat-10874	64	39	sitefinder	sitefinder	NOUN
easat-10874	64	40	tool	tool	NOUN
easat-10874	64	41	.	.	PUNCT
easat-10874	65	1	the	the	DET
easat-10874	65	2	processed	process	VERB
easat-10874	65	3	and	and	CCONJ
easat-10874	65	4	prepared	prepared	ADJ
easat-10874	65	5	protein	protein	NOUN
easat-10874	65	6	structures	structure	NOUN
easat-10874	65	7	were	be	AUX
easat-10874	65	8	saved	save	VERB
easat-10874	65	9	in	in	ADP
easat-10874	65	10	.moe	.moe	NOUN
easat-10874	65	11	format	format	NOUN
easat-10874	65	12	in	in	ADP
easat-10874	65	13	preparation	preparation	NOUN
easat-10874	65	14	for	for	ADP
easat-10874	65	15	docking	dock	VERB
easat-10874	65	16	calculations	calculation	NOUN
easat-10874	65	17	using	use	VERB
easat-10874	65	18	the	the	DET
easat-10874	65	19	induced	induced	ADJ
easat-10874	65	20	fit	fit	ADJ
easat-10874	65	21	approach	approach	NOUN
easat-10874	65	22	.	.	PUNCT
easat-10874	66	1	the	the	DET
easat-10874	66	2	results	result	NOUN
easat-10874	66	3	obtained	obtain	VERB
easat-10874	66	4	from	from	ADP
easat-10874	66	5	the	the	DET
easat-10874	66	6	docked	docked	ADJ
easat-10874	66	7	complexes	complex	NOUN
easat-10874	66	8	were	be	AUX
easat-10874	66	9	reported	report	VERB
easat-10874	66	10	in	in	ADP
easat-10874	66	11	kcal	kcal	PROPN
easat-10874	66	12	/	/	SYM
easat-10874	66	13	mol	mol	PROPN
easat-10874	66	14	,	,	PUNCT
easat-10874	66	15	and	and	CCONJ
easat-10874	66	16	the	the	DET
easat-10874	66	17	types	type	NOUN
easat-10874	66	18	of	of	ADP
easat-10874	66	19	interactions	interaction	NOUN
easat-10874	66	20	present	present	ADJ
easat-10874	66	21	in	in	ADP
easat-10874	66	22	the	the	DET
easat-10874	66	23	docked	docked	ADJ
easat-10874	66	24	complexes	complex	NOUN
easat-10874	66	25	were	be	AUX
easat-10874	66	26	documented	document	VERB
easat-10874	66	27	and	and	CCONJ
easat-10874	66	28	presented	present	VERB
easat-10874	66	29	.	.	PUNCT
easat-10874	67	1	2.3	2.3	NUM
easat-10874	67	2	.	.	PUNCT
easat-10874	68	1	binding	bind	VERB
easat-10874	68	2	affinity	affinity	NOUN
easat-10874	68	3	prediction	prediction	NOUN
easat-10874	68	4	in	in	ADP
easat-10874	68	5	this	this	DET
easat-10874	68	6	work	work	NOUN
easat-10874	68	7	,	,	PUNCT
easat-10874	68	8	the	the	DET
easat-10874	68	9	binding	bind	VERB
easat-10874	68	10	affinity	affinity	NOUN
easat-10874	68	11	of	of	ADP
easat-10874	68	12	the	the	DET
easat-10874	68	13	studied	study	VERB
easat-10874	68	14	compounds	compound	NOUN
easat-10874	68	15	was	be	AUX
easat-10874	68	16	predicted	predict	VERB
easat-10874	68	17	using	use	VERB
easat-10874	68	18	homo	homo	NOUN
easat-10874	68	19	,	,	PUNCT
easat-10874	68	20	lumo	lumo	NOUN
easat-10874	68	21	,	,	PUNCT
easat-10874	68	22	and	and	CCONJ
easat-10874	68	23	energy	energy	NOUN
easat-10874	68	24	gap	gap	NOUN
easat-10874	68	25	(	(	PUNCT
easat-10874	68	26	descriptors	descriptor	NOUN
easat-10874	68	27	generated	generate	VERB
easat-10874	68	28	from	from	ADP
easat-10874	68	29	optimized	optimize	VERB
easat-10874	68	30	studied	study	VERB
easat-10874	68	31	structures	structure	NOUN
easat-10874	68	32	)	)	PUNCT
easat-10874	68	33	.	.	PUNCT
easat-10874	69	1	the	the	DET
easat-10874	69	2	connection	connection	NOUN
easat-10874	69	3	between	between	ADP
easat-10874	69	4	the	the	DET
easat-10874	69	5	three	three	NUM
easat-10874	69	6	features	feature	NOUN
easat-10874	69	7	linked	link	VERB
easat-10874	69	8	to	to	ADP
easat-10874	69	9	the	the	DET
easat-10874	69	10	predicted	predict	VERB
easat-10874	69	11	binding	bind	VERB
easat-10874	69	12	affinity	affinity	NOUN
easat-10874	69	13	obtained	obtain	VERB
easat-10874	69	14	from	from	ADP
easat-10874	69	15	the	the	DET
easat-10874	69	16	docking	docking	NOUN
easat-10874	69	17	of	of	ADP
easat-10874	69	18	the	the	DET
easat-10874	69	19	studied	study	VERB
easat-10874	69	20	compounds	compound	NOUN
easat-10874	69	21	against	against	ADP
easat-10874	69	22	gram	gram	NOUN
easat-10874	69	23	-	-	PUNCT
easat-10874	69	24	positive	positive	ADJ
easat-10874	69	25	thymidylate	thymidylate	NOUN
easat-10874	69	26	kinase	kinase	NOUN
easat-10874	69	27	(	(	PUNCT
easat-10874	69	28	4hlc	4hlc	NOUN
easat-10874	69	29	)	)	PUNCT
easat-10874	69	30	and	and	CCONJ
easat-10874	69	31	gram	gram	NOUN
easat-10874	69	32	-	-	PUNCT
easat-10874	69	33	negative	negative	ADJ
easat-10874	69	34	gyrase	gyrase	NOUN
easat-10874	69	35	b	b	PROPN
easat-10874	69	36	(	(	PUNCT
easat-10874	69	37	1kij	1kij	NUM
easat-10874	69	38	)	)	PUNCT
easat-10874	69	39	was	be	AUX
easat-10874	69	40	investigated	investigate	VERB
easat-10874	69	41	using	use	VERB
easat-10874	69	42	a	a	DET
easat-10874	69	43	decision	decision	NOUN
easat-10874	69	44	tree	tree	NOUN
easat-10874	69	45	regressor	regressor	NOUN
easat-10874	69	46	[	[	X
easat-10874	69	47	16	16	NUM
easat-10874	69	48	]	]	PUNCT
easat-10874	69	49	.	.	PUNCT
easat-10874	70	1	2.4	2.4	NUM
easat-10874	70	2	.	.	PUNCT
easat-10874	70	3	model	model	NOUN
easat-10874	70	4	training	training	NOUN
easat-10874	70	5	and	and	CCONJ
easat-10874	70	6	optimization	optimization	NOUN
easat-10874	70	7	the	the	DET
easat-10874	70	8	potential	potential	ADJ
easat-10874	70	9	non	non	ADJ
easat-10874	70	10	-	-	ADJ
easat-10874	70	11	linear	linear	ADJ
easat-10874	70	12	connection	connection	NOUN
easat-10874	70	13	between	between	ADP
easat-10874	70	14	the	the	DET
easat-10874	70	15	calculated	calculate	VERB
easat-10874	70	16	descriptors	descriptor	NOUN
easat-10874	70	17	and	and	CCONJ
easat-10874	70	18	the	the	DET
easat-10874	70	19	predicted	predict	VERB
easat-10874	70	20	binding	bind	VERB
easat-10874	70	21	affinity	affinity	NOUN
easat-10874	70	22	was	be	AUX
easat-10874	70	23	analyzed	analyze	VERB
easat-10874	70	24	using	use	VERB
easat-10874	70	25	a	a	DET
easat-10874	70	26	decision	decision	NOUN
easat-10874	70	27	tree	tree	NOUN
easat-10874	70	28	regressor	regressor	NOUN
easat-10874	70	29	(	(	PUNCT
easat-10874	70	30	scikit	scikit	NOUN
easat-10874	70	31	-	-	PUNCT
easat-10874	70	32	learn	learn	VERB
easat-10874	70	33	v1.4.2	v1.4.2	NOUN
easat-10874	70	34	)	)	PUNCT
easat-10874	70	35	.	.	PUNCT
easat-10874	71	1	hyperparameter	hyperparameter	NOUN
easat-10874	71	2	optimization	optimization	NOUN
easat-10874	71	3	of	of	ADP
easat-10874	71	4	the	the	DET
easat-10874	71	5	model	model	NOUN
easat-10874	71	6	was	be	AUX
easat-10874	71	7	performed	perform	VERB
easat-10874	71	8	using	use	VERB
easat-10874	71	9	grid	grid	NOUN
easat-10874	71	10	search	search	NOUN
easat-10874	71	11	combined	combine	VERB
easat-10874	71	12	with	with	ADP
easat-10874	71	13	leave	leave	VERB
easat-10874	71	14	-	-	PUNCT
easat-10874	71	15	one	one	NUM
easat-10874	71	16	-	-	PUNCT
easat-10874	71	17	out	out	ADP
easat-10874	71	18	crossvalidation	crossvalidation	NOUN
easat-10874	71	19	(	(	PUNCT
easat-10874	71	20	loocv	loocv	NOUN
easat-10874	71	21	)	)	PUNCT
easat-10874	71	22	.	.	PUNCT
easat-10874	72	1	the	the	DET
easat-10874	72	2	reliability	reliability	NOUN
easat-10874	72	3	of	of	ADP
easat-10874	72	4	the	the	DET
easat-10874	72	5	developed	develop	VERB
easat-10874	72	6	model	model	NOUN
easat-10874	72	7	was	be	AUX
easat-10874	72	8	assessed	assess	VERB
easat-10874	72	9	through	through	ADP
easat-10874	72	10	loocv	loocv	PROPN
easat-10874	72	11	mae	mae	PROPN
easat-10874	72	12	,	,	PUNCT
easat-10874	72	13	the	the	DET
easat-10874	72	14	coefficient	coefficient	NOUN
easat-10874	72	15	of	of	ADP
easat-10874	72	16	determination	determination	NOUN
easat-10874	72	17	(	(	PUNCT
easat-10874	72	18	r²	r²	NOUN
easat-10874	72	19	)	)	PUNCT
easat-10874	72	20	,	,	PUNCT
easat-10874	72	21	and	and	CCONJ
easat-10874	72	22	comparison	comparison	NOUN
easat-10874	72	23	against	against	ADP
easat-10874	72	24	a	a	DET
easat-10874	72	25	baseline	baseline	ADJ
easat-10874	72	26	predictor	predictor	NOUN
easat-10874	72	27	(	(	PUNCT
easat-10874	72	28	mean	mean	VERB
easat-10874	72	29	binding	bind	VERB
easat-10874	72	30	affinity	affinity	NOUN
easat-10874	72	31	)	)	PUNCT
easat-10874	72	32	.	.	PUNCT
easat-10874	73	1	finally	finally	ADV
easat-10874	73	2	,	,	PUNCT
easat-10874	73	3	the	the	DET
easat-10874	73	4	implementation	implementation	NOUN
easat-10874	73	5	of	of	ADP
easat-10874	73	6	the	the	DET
easat-10874	73	7	workflow	workflow	NOUN
easat-10874	73	8	in	in	ADP
easat-10874	73	9	python	python	NOUN
easat-10874	73	10	(	(	PUNCT
easat-10874	73	11	v3.11	v3.11	PROPN
easat-10874	73	12	)	)	PUNCT
easat-10874	73	13	was	be	AUX
easat-10874	73	14	achieved	achieve	VERB
easat-10874	73	15	using	use	VERB
easat-10874	73	16	these	these	DET
easat-10874	73	17	methods	method	NOUN
easat-10874	73	18	:	:	PUNCT
easat-10874	73	19	pandas	panda	NOUN
easat-10874	73	20	,	,	PUNCT
easat-10874	73	21	scikit	scikit	NOUN
easat-10874	73	22	-	-	PUNCT
easat-10874	73	23	learn	learn	NOUN
easat-10874	73	24	and	and	CCONJ
easat-10874	73	25	matplotlib	matplotlib	PRON
easat-10874	74	1	[	[	X
easat-10874	74	2	17	17	NUM
easat-10874	74	3	]	]	PUNCT
easat-10874	74	4	.	.	PUNCT
easat-10874	75	1	368	368	NUM
easat-10874	75	2	edelweiss	edelweiss	PROPN
easat-10874	75	3	applied	apply	VERB
easat-10874	75	4	science	science	NOUN
easat-10874	75	5	and	and	CCONJ
easat-10874	75	6	technology	technology	NOUN
easat-10874	75	7	issn	issn	PROPN
easat-10874	75	8	:	:	PUNCT
easat-10874	75	9	2576	2576	NUM
easat-10874	75	10	-	-	SYM
easat-10874	75	11	8484	8484	NUM
easat-10874	75	12	vol	vol	NOUN
easat-10874	75	13	.	.	PROPN
easat-10874	76	1	9	9	NUM
easat-10874	76	2	,	,	PUNCT
easat-10874	76	3	no	no	INTJ
easat-10874	76	4	.	.	NOUN
easat-10874	76	5	11	11	NUM
easat-10874	76	6	:	:	PUNCT
easat-10874	76	7	360	360	NUM
easat-10874	76	8	-	-	SYM
easat-10874	76	9	386	386	NUM
easat-10874	76	10	,	,	PUNCT
easat-10874	76	11	2025	2025	NUM
easat-10874	76	12	doi	doi	NOUN
easat-10874	76	13	:	:	PUNCT
easat-10874	76	14	10.55214/2576	10.55214/2576	NUM
easat-10874	76	15	-	-	SYM
easat-10874	76	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	77	1	©	©	ADP
easat-10874	77	2	2025	2025	NUM
easat-10874	77	3	by	by	ADP
easat-10874	77	4	the	the	DET
easat-10874	77	5	authors	author	NOUN
easat-10874	77	6	;	;	PUNCT
easat-10874	77	7	licensee	licensee	PROPN
easat-10874	77	8	learning	learning	NOUN
easat-10874	77	9	gate	gate	NOUN
easat-10874	77	10	3	3	PROPN
easat-10874	77	11	.	.	NOUN
easat-10874	77	12	results	result	NOUN
easat-10874	77	13	and	and	CCONJ
easat-10874	77	14	discussion	discussion	NOUN
easat-10874	77	15	3.1	3.1	NUM
easat-10874	77	16	.	.	PUNCT
easat-10874	78	1	calculated	calculate	VERB
easat-10874	78	2	features	feature	NOUN
easat-10874	78	3	of	of	ADP
easat-10874	78	4	the	the	DET
easat-10874	78	5	studied	study	VERB
easat-10874	78	6	compounds	compound	VERB
easat-10874	78	7	the	the	DET
easat-10874	78	8	examined	examine	VERB
easat-10874	78	9	compounds	compound	NOUN
easat-10874	78	10	in	in	ADP
easat-10874	78	11	this	this	DET
easat-10874	78	12	work	work	NOUN
easat-10874	78	13	generated	generate	VERB
easat-10874	78	14	various	various	ADJ
easat-10874	78	15	descriptors	descriptor	NOUN
easat-10874	78	16	that	that	PRON
easat-10874	78	17	predict	predict	VERB
easat-10874	78	18	their	their	PRON
easat-10874	78	19	potential	potential	ADJ
easat-10874	78	20	reactivity	reactivity	NOUN
easat-10874	78	21	.	.	PUNCT
easat-10874	79	1	table	table	NOUN
easat-10874	79	2	2	2	NUM
easat-10874	79	3	presents	present	VERB
easat-10874	79	4	the	the	DET
easat-10874	79	5	highest	highest	ADV
easat-10874	79	6	occupied	occupy	VERB
easat-10874	79	7	molecular	molecular	ADJ
easat-10874	79	8	orbital	orbital	ADJ
easat-10874	79	9	energy	energy	NOUN
easat-10874	79	10	(	(	PUNCT
easat-10874	79	11	homo	homo	NOUN
easat-10874	79	12	energy	energy	NOUN
easat-10874	79	13	)	)	PUNCT
easat-10874	79	14	,	,	PUNCT
easat-10874	79	15	the	the	DET
easat-10874	79	16	lowest	lowest	ADV
easat-10874	79	17	unoccupied	unoccupied	ADJ
easat-10874	79	18	molecular	molecular	ADJ
easat-10874	79	19	orbital	orbital	ADJ
easat-10874	79	20	energy	energy	NOUN
easat-10874	79	21	(	(	PUNCT
easat-10874	79	22	lumo	lumo	NOUN
easat-10874	79	23	energy	energy	NOUN
easat-10874	79	24	)	)	PUNCT
easat-10874	79	25	,	,	PUNCT
easat-10874	79	26	and	and	CCONJ
easat-10874	79	27	the	the	DET
easat-10874	79	28	energy	energy	NOUN
easat-10874	79	29	gap	gap	NOUN
easat-10874	79	30	.	.	PUNCT
easat-10874	80	1	the	the	DET
easat-10874	80	2	homo	homo	NOUN
easat-10874	80	3	energy	energy	NOUN
easat-10874	80	4	indicates	indicate	VERB
easat-10874	80	5	the	the	DET
easat-10874	80	6	ability	ability	NOUN
easat-10874	80	7	of	of	ADP
easat-10874	80	8	a	a	DET
easat-10874	80	9	reacting	react	VERB
easat-10874	80	10	compound	compound	NOUN
easat-10874	80	11	to	to	PART
easat-10874	80	12	donate	donate	VERB
easat-10874	80	13	electrons	electron	NOUN
easat-10874	80	14	to	to	ADP
easat-10874	80	15	nearby	nearby	ADJ
easat-10874	80	16	molecules	molecule	NOUN
easat-10874	80	17	;	;	PUNCT
easat-10874	80	18	that	that	PRON
easat-10874	80	19	is	is	ADV
easat-10874	80	20	,	,	PUNCT
easat-10874	80	21	the	the	PRON
easat-10874	80	22	higher	high	ADJ
easat-10874	80	23	the	the	DET
easat-10874	80	24	homo	homo	NOUN
easat-10874	80	25	energy	energy	NOUN
easat-10874	80	26	value	value	NOUN
easat-10874	80	27	,	,	PUNCT
easat-10874	80	28	the	the	PRON
easat-10874	80	29	greater	great	ADJ
easat-10874	80	30	the	the	DET
easat-10874	80	31	compound	compound	NOUN
easat-10874	80	32	's	's	PART
easat-10874	80	33	capacity	capacity	NOUN
easat-10874	80	34	to	to	PART
easat-10874	80	35	donate	donate	VERB
easat-10874	80	36	electrons	electron	NOUN
easat-10874	80	37	.	.	PUNCT
easat-10874	81	1	accordingly	accordingly	ADV
easat-10874	81	2	,	,	PUNCT
easat-10874	81	3	2((2s,5s,8s,11s,14s)-5,14	2((2s,5s,8s,11s,14s)-5,14	ADV
easat-10874	81	4	-	-	PUNCT
easat-10874	81	5	bis(3	bis(3	NOUN
easat-10874	81	6	-	-	PUNCT
easat-10874	81	7	guanidinopropyl)-11	guanidinopropyl)-11	NUM
easat-10874	81	8	-	-	PUNCT
easat-10874	81	9	isopropyl-8	isopropyl-8	NOUN
easat-10874	81	10	-	-	PUNCT
easat-10874	81	11	methyl-3	methyl-3	NUM
easat-10874	81	12	-	-	PUNCT
easat-10874	81	13	methylene-6,9,12,15tetraoxo-1,4,7,10,13	methylene-6,9,12,15tetraoxo-1,4,7,10,13	NOUN
easat-10874	81	14	-	-	PUNCT
easat-10874	81	15	pentaazacyclopentadecan-2	pentaazacyclopentadecan-2	NOUN
easat-10874	81	16	-	-	PUNCT
easat-10874	81	17	yl)acetamide	yl)acetamide	NOUN
easat-10874	81	18	(	(	PUNCT
easat-10874	81	19	compound	compound	NOUN
easat-10874	81	20	3	3	NUM
easat-10874	81	21	)	)	PUNCT
easat-10874	81	22	and	and	CCONJ
easat-10874	81	23	3-((2s,5s,8s,11s,14s)5,14	3-((2s,5s,8s,11s,14s)5,14	NUM
easat-10874	81	24	-	-	PUNCT
easat-10874	81	25	bis(3	bis(3	NOUN
easat-10874	81	26	-	-	PUNCT
easat-10874	81	27	guanidinopropyl)-11	guanidinopropyl)-11	NUM
easat-10874	81	28	-	-	PUNCT
easat-10874	81	29	isopropyl-8	isopropyl-8	NUM
easat-10874	81	30	-	-	PUNCT
easat-10874	81	31	methyl-3,6,9,12,15	methyl-3,6,9,12,15	NOUN
easat-10874	81	32	-	-	PUNCT
easat-10874	81	33	pentaoxo-1,4,7,10,13pentaazacyclopentadecan-2	pentaoxo-1,4,7,10,13pentaazacyclopentadecan-2	NOUN
easat-10874	81	34	-	-	PUNCT
easat-10874	81	35	yl)propanamide	yl)propanamide	NOUN
easat-10874	81	36	(	(	PUNCT
easat-10874	81	37	compound	compound	NOUN
easat-10874	81	38	4	4	NUM
easat-10874	81	39	)	)	PUNCT
easat-10874	81	40	were	be	AUX
easat-10874	81	41	observed	observe	VERB
easat-10874	81	42	to	to	PART
easat-10874	81	43	have	have	VERB
easat-10874	81	44	the	the	DET
easat-10874	81	45	potential	potential	NOUN
easat-10874	81	46	to	to	PART
easat-10874	81	47	react	react	VERB
easat-10874	81	48	effectively	effectively	ADV
easat-10874	81	49	according	accord	VERB
easat-10874	81	50	to	to	ADP
easat-10874	81	51	their	their	PRON
easat-10874	81	52	homo	homo	NOUN
easat-10874	81	53	energies	energy	NOUN
easat-10874	81	54	.	.	PUNCT
easat-10874	82	1	this	this	DET
easat-10874	82	2	reactivity	reactivity	NOUN
easat-10874	82	3	,	,	PUNCT
easat-10874	82	4	as	as	SCONJ
easat-10874	82	5	indicated	indicate	VERB
easat-10874	82	6	by	by	ADP
easat-10874	82	7	homo	homo	NOUN
easat-10874	82	8	energy	energy	NOUN
easat-10874	82	9	,	,	PUNCT
easat-10874	82	10	can	can	AUX
easat-10874	82	11	be	be	AUX
easat-10874	82	12	attributed	attribute	VERB
easat-10874	82	13	to	to	ADP
easat-10874	82	14	the	the	DET
easat-10874	82	15	presence	presence	NOUN
easat-10874	82	16	of	of	ADP
easat-10874	82	17	amide	amide	NOUN
easat-10874	82	18	groups	group	NOUN
easat-10874	82	19	in	in	ADP
easat-10874	82	20	compounds	compound	NOUN
easat-10874	82	21	3	3	NUM
easat-10874	82	22	and	and	CCONJ
easat-10874	82	23	4	4	NUM
easat-10874	82	24	.	.	PUNCT
easat-10874	82	25	as	as	SCONJ
easat-10874	82	26	stated	state	VERB
easat-10874	82	27	by	by	ADP
easat-10874	82	28	various	various	ADJ
easat-10874	82	29	researchers	researcher	NOUN
easat-10874	82	30	[	[	X
easat-10874	82	31	15	15	NUM
easat-10874	82	32	,	,	PUNCT
easat-10874	82	33	18	18	NUM
easat-10874	82	34	]	]	PUNCT
easat-10874	82	35	,	,	PUNCT
easat-10874	82	36	the	the	DET
easat-10874	82	37	presence	presence	NOUN
easat-10874	82	38	of	of	ADP
easat-10874	82	39	electron	electron	NOUN
easat-10874	82	40	-	-	PUNCT
easat-10874	82	41	withdrawing	withdraw	VERB
easat-10874	82	42	carbonyl	carbonyl	NOUN
easat-10874	82	43	groups	group	NOUN
easat-10874	82	44	and	and	CCONJ
easat-10874	82	45	electron	electron	NOUN
easat-10874	82	46	-	-	PUNCT
easat-10874	82	47	donating	donate	VERB
easat-10874	82	48	nitrogen	nitrogen	NOUN
easat-10874	82	49	in	in	ADP
easat-10874	82	50	a	a	DET
easat-10874	82	51	compound	compound	NOUN
easat-10874	82	52	facilitates	facilitate	VERB
easat-10874	82	53	the	the	DET
easat-10874	82	54	stabilization	stabilization	NOUN
easat-10874	82	55	of	of	ADP
easat-10874	82	56	charge	charge	NOUN
easat-10874	82	57	during	during	ADP
easat-10874	82	58	the	the	DET
easat-10874	82	59	transfer	transfer	NOUN
easat-10874	82	60	of	of	ADP
easat-10874	82	61	electrons	electron	NOUN
easat-10874	82	62	between	between	ADP
easat-10874	82	63	compounds	compound	NOUN
easat-10874	82	64	.	.	PUNCT
easat-10874	83	1	consequently	consequently	ADV
easat-10874	83	2	,	,	PUNCT
easat-10874	83	3	the	the	DET
easat-10874	83	4	combination	combination	NOUN
easat-10874	83	5	of	of	ADP
easat-10874	83	6	these	these	DET
easat-10874	83	7	two	two	NUM
easat-10874	83	8	influences	influence	NOUN
easat-10874	83	9	in	in	ADP
easat-10874	83	10	compounds	compound	NOUN
easat-10874	83	11	3	3	NUM
easat-10874	83	12	and	and	CCONJ
easat-10874	83	13	4	4	NUM
easat-10874	83	14	permitted	permit	VERB
easat-10874	83	15	the	the	DET
easat-10874	83	16	adjustment	adjustment	NOUN
easat-10874	83	17	of	of	ADP
easat-10874	83	18	electron	electron	NOUN
easat-10874	83	19	density	density	NOUN
easat-10874	83	20	in	in	ADP
easat-10874	83	21	adjacent	adjacent	ADJ
easat-10874	83	22	π	π	NOUN
easat-10874	83	23	-	-	NOUN
easat-10874	83	24	systems	system	NOUN
easat-10874	83	25	,	,	PUNCT
easat-10874	83	26	which	which	PRON
easat-10874	83	27	thereby	thereby	ADV
easat-10874	83	28	refined	refine	VERB
easat-10874	83	29	their	their	PRON
easat-10874	83	30	redox	redox	ADJ
easat-10874	83	31	potential	potential	NOUN
easat-10874	83	32	.	.	PUNCT
easat-10874	84	1	furthermore	furthermore	ADV
easat-10874	84	2	,	,	PUNCT
easat-10874	84	3	the	the	DET
easat-10874	84	4	ability	ability	NOUN
easat-10874	84	5	of	of	ADP
easat-10874	84	6	any	any	DET
easat-10874	84	7	compound	compound	NOUN
easat-10874	84	8	to	to	PART
easat-10874	84	9	receive	receive	VERB
easat-10874	84	10	electrons	electron	NOUN
easat-10874	84	11	from	from	ADP
easat-10874	84	12	any	any	DET
easat-10874	84	13	nearby	nearby	ADJ
easat-10874	84	14	compound	compound	NOUN
easat-10874	84	15	also	also	ADV
easat-10874	84	16	plays	play	VERB
easat-10874	84	17	a	a	DET
easat-10874	84	18	crucial	crucial	ADJ
easat-10874	84	19	role	role	NOUN
easat-10874	84	20	in	in	ADP
easat-10874	84	21	the	the	DET
easat-10874	84	22	reactivity	reactivity	NOUN
easat-10874	84	23	of	of	ADP
easat-10874	84	24	any	any	DET
easat-10874	84	25	compound	compound	NOUN
easat-10874	84	26	;	;	PUNCT
easat-10874	84	27	therefore	therefore	ADV
easat-10874	84	28	,	,	PUNCT
easat-10874	84	29	as	as	SCONJ
easat-10874	84	30	shown	show	VERB
easat-10874	84	31	in	in	ADP
easat-10874	84	32	table	table	NOUN
easat-10874	84	33	2	2	NUM
easat-10874	84	34	,	,	PUNCT
easat-10874	84	35	it	it	PRON
easat-10874	84	36	was	be	AUX
easat-10874	84	37	observed	observe	VERB
easat-10874	84	38	that	that	SCONJ
easat-10874	84	39	compound	compound	NOUN
easat-10874	84	40	10	10	NUM
easat-10874	84	41	(	(	PUNCT
easat-10874	84	42	1,1'(((2s,5s,8s,11s,14s)-5-(hydroxymethyl)-14	1,1'(((2s,5s,8s,11s,14s)-5-(hydroxymethyl)-14	NUM
easat-10874	84	43	-	-	PUNCT
easat-10874	84	44	isopropyl-11	isopropyl-11	VERB
easat-10874	84	45	-	-	PUNCT
easat-10874	84	46	methyl-3,6,9,12,15	methyl-3,6,9,12,15	ADJ
easat-10874	84	47	-	-	PUNCT
easat-10874	84	48	pentaoxo-1,4,7,10,13pentaazacyclopentadecane-2,8	pentaoxo-1,4,7,10,13pentaazacyclopentadecane-2,8	ADJ
easat-10874	84	49	-	-	PUNCT
easat-10874	84	50	diyl)bis(propane-3,1	diyl)bis(propane-3,1	NOUN
easat-10874	84	51	-	-	PUNCT
easat-10874	84	52	diyl))diguanidine	diyl))diguanidine	NOUN
easat-10874	84	53	)	)	PUNCT
easat-10874	84	54	with	with	ADP
easat-10874	84	55	the	the	DET
easat-10874	84	56	lowest	low	ADJ
easat-10874	84	57	lumo	lumo	NOUN
easat-10874	84	58	has	have	VERB
easat-10874	84	59	the	the	DET
easat-10874	84	60	potential	potential	ADJ
easat-10874	84	61	ability	ability	NOUN
easat-10874	84	62	to	to	PART
easat-10874	84	63	receive	receive	VERB
easat-10874	84	64	electrons	electron	NOUN
easat-10874	84	65	more	more	ADJ
easat-10874	84	66	than	than	ADP
easat-10874	84	67	other	other	ADJ
easat-10874	84	68	studied	study	VERB
easat-10874	84	69	compounds	compound	NOUN
easat-10874	84	70	(	(	PUNCT
easat-10874	84	71	figure	figure	NOUN
easat-10874	84	72	3	3	NUM
easat-10874	84	73	)	)	PUNCT
easat-10874	84	74	semire	semire	NOUN
easat-10874	84	75	et	et	PROPN
easat-10874	84	76	al	al	PROPN
easat-10874	84	77	.	.	PUNCT
easat-10874	85	1	[	[	X
easat-10874	85	2	19	19	NUM
easat-10874	85	3	]	]	PUNCT
easat-10874	85	4	also	also	ADV
easat-10874	85	5	reported	report	VERB
easat-10874	85	6	that	that	SCONJ
easat-10874	85	7	,	,	PUNCT
easat-10874	85	8	the	the	PRON
easat-10874	85	9	lower	low	ADJ
easat-10874	85	10	the	the	DET
easat-10874	85	11	energy	energy	NOUN
easat-10874	85	12	gap	gap	NOUN
easat-10874	85	13	,	,	PUNCT
easat-10874	85	14	the	the	PRON
easat-10874	85	15	higher	high	ADJ
easat-10874	85	16	the	the	DET
easat-10874	85	17	ability	ability	NOUN
easat-10874	85	18	of	of	ADP
easat-10874	85	19	the	the	DET
easat-10874	85	20	studied	study	VERB
easat-10874	85	21	compounds	compound	NOUN
easat-10874	85	22	to	to	PART
easat-10874	85	23	react	react	VERB
easat-10874	85	24	than	than	ADP
easat-10874	85	25	other	other	ADJ
easat-10874	85	26	studied	study	VERB
easat-10874	85	27	compounds	compound	NOUN
easat-10874	85	28	;	;	PUNCT
easat-10874	85	29	therefore	therefore	ADV
easat-10874	85	30	,	,	PUNCT
easat-10874	85	31	compound	compound	NOUN
easat-10874	85	32	3	3	NUM
easat-10874	85	33	proved	prove	VERB
easat-10874	85	34	to	to	PART
easat-10874	85	35	have	have	VERB
easat-10874	85	36	higher	high	ADJ
easat-10874	85	37	potential	potential	ADJ
easat-10874	85	38	strength	strength	NOUN
easat-10874	85	39	to	to	PART
easat-10874	85	40	react	react	VERB
easat-10874	85	41	than	than	ADP
easat-10874	85	42	other	other	ADJ
easat-10874	85	43	studied	study	VERB
easat-10874	85	44	compounds	compound	NOUN
easat-10874	85	45	.	.	PUNCT
easat-10874	86	1	table	table	NOUN
easat-10874	86	2	2	2	NUM
easat-10874	86	3	.	.	PUNCT
easat-10874	86	4	calculated	calculate	VERB
easat-10874	86	5	descriptors	descriptor	NOUN
easat-10874	86	6	from	from	ADP
easat-10874	86	7	the	the	DET
easat-10874	86	8	studied	study	VERB
easat-10874	86	9	compounds	compound	NOUN
easat-10874	86	10	.	.	PUNCT
easat-10874	87	1	ehomo	ehomo	ADJ
easat-10874	87	2	(	(	PUNCT
easat-10874	87	3	ev	ev	INTJ
easat-10874	87	4	)	)	PUNCT
easat-10874	87	5	elumo	elumo	NOUN
easat-10874	87	6	(	(	PUNCT
easat-10874	87	7	ev	ev	NOUN
easat-10874	87	8	)	)	PUNCT
easat-10874	87	9	energy	energy	NOUN
easat-10874	87	10	gap	gap	NOUN
easat-10874	87	11	(	(	PUNCT
easat-10874	87	12	ev	ev	INTJ
easat-10874	87	13	)	)	PUNCT
easat-10874	87	14	1	1	NUM
easat-10874	87	15	-5.48	-5.48	NUM
easat-10874	87	16	-0.76	-0.76	NUM
easat-10874	87	17	4.72	4.72	NUM
easat-10874	87	18	2	2	NUM
easat-10874	87	19	-6.05	-6.05	NOUN
easat-10874	87	20	-0.83	-0.83	NOUN
easat-10874	87	21	5.22	5.22	NUM
easat-10874	87	22	3	3	NUM
easat-10874	87	23	-5.18	-5.18	PRON
easat-10874	87	24	-0.91	-0.91	NOUN
easat-10874	87	25	4.27	4.27	NUM
easat-10874	87	26	4	4	NUM
easat-10874	87	27	-5.18	-5.18	NOUN
easat-10874	87	28	-0.79	-0.79	NOUN
easat-10874	87	29	4.39	4.39	NUM
easat-10874	87	30	5	5	NUM
easat-10874	87	31	-5.97	-5.97	NOUN
easat-10874	87	32	-1.00	-1.00	NUM
easat-10874	87	33	4.97	4.97	NUM
easat-10874	87	34	6	6	NUM
easat-10874	87	35	-5.87	-5.87	PROPN
easat-10874	87	36	-0.77	-0.77	NUM
easat-10874	87	37	5.10	5.10	NUM
easat-10874	87	38	7	7	NUM
easat-10874	87	39	-5.87	-5.87	ADP
easat-10874	87	40	-0.85	-0.85	NOUN
easat-10874	87	41	5.02	5.02	NUM
easat-10874	87	42	8	8	NUM
easat-10874	87	43	-5.87	-5.87	NOUN
easat-10874	87	44	-0.74	-0.74	NUM
easat-10874	87	45	5.13	5.13	NUM
easat-10874	87	46	9	9	NUM
easat-10874	87	47	-5.94	-5.94	NUM
easat-10874	87	48	-0.93	-0.93	NUM
easat-10874	87	49	5.01	5.01	NUM
easat-10874	87	50	10	10	NUM
easat-10874	87	51	-5.89	-5.89	NOUN
easat-10874	87	52	-1.04	-1.04	NOUN
easat-10874	87	53	4.85	4.85	NUM
easat-10874	87	54	11	11	NUM
easat-10874	87	55	-5.57	-5.57	ADP
easat-10874	87	56	-0.43	-0.43	NUM
easat-10874	87	57	5.14	5.14	NUM
easat-10874	87	58	369	369	NUM
easat-10874	87	59	edelweiss	edelweiss	PROPN
easat-10874	87	60	applied	apply	VERB
easat-10874	87	61	science	science	NOUN
easat-10874	87	62	and	and	CCONJ
easat-10874	87	63	technology	technology	NOUN
easat-10874	87	64	issn	issn	PROPN
easat-10874	87	65	:	:	PUNCT
easat-10874	87	66	2576	2576	NUM
easat-10874	87	67	-	-	SYM
easat-10874	87	68	8484	8484	NUM
easat-10874	87	69	vol	vol	NOUN
easat-10874	87	70	.	.	PROPN
easat-10874	88	1	9	9	NUM
easat-10874	88	2	,	,	PUNCT
easat-10874	88	3	no	no	INTJ
easat-10874	88	4	.	.	NOUN
easat-10874	88	5	11	11	NUM
easat-10874	88	6	:	:	PUNCT
easat-10874	88	7	360	360	NUM
easat-10874	88	8	-	-	SYM
easat-10874	88	9	386	386	NUM
easat-10874	88	10	,	,	PUNCT
easat-10874	88	11	2025	2025	NUM
easat-10874	88	12	doi	doi	NOUN
easat-10874	88	13	:	:	PUNCT
easat-10874	88	14	10.55214/2576	10.55214/2576	NUM
easat-10874	88	15	-	-	SYM
easat-10874	88	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	89	1	©	©	ADP
easat-10874	89	2	2025	2025	NUM
easat-10874	89	3	by	by	ADP
easat-10874	89	4	the	the	DET
easat-10874	89	5	authors	author	NOUN
easat-10874	89	6	;	;	PUNCT
easat-10874	89	7	licensee	licensee	PROPN
easat-10874	89	8	learning	learn	VERB
easat-10874	89	9	gate	gate	NOUN
easat-10874	89	10	table	table	NOUN
easat-10874	89	11	3	3	NUM
easat-10874	89	12	.	.	PUNCT
easat-10874	89	13	pictorial	pictorial	ADJ
easat-10874	89	14	representation	representation	NOUN
easat-10874	89	15	of	of	ADP
easat-10874	89	16	homo	homo	NOUN
easat-10874	89	17	-	-	PUNCT
easat-10874	89	18	lumo	lumo	NOUN
easat-10874	89	19	overlay	overlay	NOUN
easat-10874	89	20	.	.	PUNCT
easat-10874	90	1	ehomo	ehomo	NOUN
easat-10874	90	2	(	(	PUNCT
easat-10874	90	3	ev	ev	INTJ
easat-10874	90	4	)	)	PUNCT
easat-10874	90	5	elumo	elumo	NOUN
easat-10874	90	6	(	(	PUNCT
easat-10874	90	7	ev	ev	INTJ
easat-10874	90	8	)	)	PUNCT
easat-10874	90	9	1	1	NUM
easat-10874	90	10	2	2	NUM
easat-10874	90	11	370	370	NUM
easat-10874	90	12	edelweiss	edelweiss	PROPN
easat-10874	90	13	applied	apply	VERB
easat-10874	90	14	science	science	NOUN
easat-10874	90	15	and	and	CCONJ
easat-10874	90	16	technology	technology	NOUN
easat-10874	90	17	issn	issn	PROPN
easat-10874	90	18	:	:	PUNCT
easat-10874	90	19	2576	2576	NUM
easat-10874	90	20	-	-	SYM
easat-10874	90	21	8484	8484	NUM
easat-10874	90	22	vol	vol	NOUN
easat-10874	90	23	.	.	PROPN
easat-10874	91	1	9	9	NUM
easat-10874	91	2	,	,	PUNCT
easat-10874	91	3	no	no	INTJ
easat-10874	91	4	.	.	NOUN
easat-10874	91	5	11	11	NUM
easat-10874	91	6	:	:	PUNCT
easat-10874	91	7	360	360	NUM
easat-10874	91	8	-	-	SYM
easat-10874	91	9	386	386	NUM
easat-10874	91	10	,	,	PUNCT
easat-10874	91	11	2025	2025	NUM
easat-10874	91	12	doi	doi	NOUN
easat-10874	91	13	:	:	PUNCT
easat-10874	91	14	10.55214/2576	10.55214/2576	NUM
easat-10874	91	15	-	-	SYM
easat-10874	91	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	92	1	©	©	ADP
easat-10874	92	2	2025	2025	NUM
easat-10874	92	3	by	by	ADP
easat-10874	92	4	the	the	DET
easat-10874	92	5	authors	author	NOUN
easat-10874	92	6	;	;	PUNCT
easat-10874	92	7	licensee	licensee	PROPN
easat-10874	92	8	learning	learning	NOUN
easat-10874	92	9	gate	gate	NOUN
easat-10874	92	10	3	3	NUM
easat-10874	92	11	4	4	NUM
easat-10874	92	12	5	5	NUM
easat-10874	92	13	371	371	NUM
easat-10874	92	14	edelweiss	edelweiss	PROPN
easat-10874	92	15	applied	apply	VERB
easat-10874	92	16	science	science	NOUN
easat-10874	92	17	and	and	CCONJ
easat-10874	92	18	technology	technology	NOUN
easat-10874	92	19	issn	issn	PROPN
easat-10874	92	20	:	:	PUNCT
easat-10874	92	21	2576	2576	NUM
easat-10874	92	22	-	-	SYM
easat-10874	92	23	8484	8484	NUM
easat-10874	92	24	vol	vol	NOUN
easat-10874	92	25	.	.	PROPN
easat-10874	93	1	9	9	NUM
easat-10874	93	2	,	,	PUNCT
easat-10874	93	3	no	no	INTJ
easat-10874	93	4	.	.	NOUN
easat-10874	93	5	11	11	NUM
easat-10874	93	6	:	:	PUNCT
easat-10874	93	7	360	360	NUM
easat-10874	93	8	-	-	SYM
easat-10874	93	9	386	386	NUM
easat-10874	93	10	,	,	PUNCT
easat-10874	93	11	2025	2025	NUM
easat-10874	93	12	doi	doi	NOUN
easat-10874	93	13	:	:	PUNCT
easat-10874	93	14	10.55214/2576	10.55214/2576	NUM
easat-10874	93	15	-	-	SYM
easat-10874	93	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	94	1	©	©	ADP
easat-10874	94	2	2025	2025	NUM
easat-10874	94	3	by	by	ADP
easat-10874	94	4	the	the	DET
easat-10874	94	5	authors	author	NOUN
easat-10874	94	6	;	;	PUNCT
easat-10874	94	7	licensee	licensee	PROPN
easat-10874	94	8	learning	learning	NOUN
easat-10874	94	9	gate	gate	NOUN
easat-10874	94	10	6	6	NUM
easat-10874	94	11	7	7	NUM
easat-10874	94	12	8	8	NUM
easat-10874	94	13	372	372	NUM
easat-10874	94	14	edelweiss	edelweiss	PROPN
easat-10874	94	15	applied	apply	VERB
easat-10874	94	16	science	science	NOUN
easat-10874	94	17	and	and	CCONJ
easat-10874	94	18	technology	technology	NOUN
easat-10874	94	19	issn	issn	PROPN
easat-10874	94	20	:	:	PUNCT
easat-10874	94	21	2576	2576	NUM
easat-10874	94	22	-	-	SYM
easat-10874	94	23	8484	8484	NUM
easat-10874	94	24	vol	vol	NOUN
easat-10874	94	25	.	.	PROPN
easat-10874	95	1	9	9	NUM
easat-10874	95	2	,	,	PUNCT
easat-10874	95	3	no	no	INTJ
easat-10874	95	4	.	.	NOUN
easat-10874	95	5	11	11	NUM
easat-10874	95	6	:	:	PUNCT
easat-10874	95	7	360	360	NUM
easat-10874	95	8	-	-	SYM
easat-10874	95	9	386	386	NUM
easat-10874	95	10	,	,	PUNCT
easat-10874	95	11	2025	2025	NUM
easat-10874	95	12	doi	doi	NOUN
easat-10874	95	13	:	:	PUNCT
easat-10874	95	14	10.55214/2576	10.55214/2576	NUM
easat-10874	95	15	-	-	SYM
easat-10874	95	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	96	1	©	©	ADP
easat-10874	96	2	2025	2025	NUM
easat-10874	96	3	by	by	ADP
easat-10874	96	4	the	the	DET
easat-10874	96	5	authors	author	NOUN
easat-10874	96	6	;	;	PUNCT
easat-10874	96	7	licensee	licensee	PROPN
easat-10874	96	8	learning	learning	NOUN
easat-10874	96	9	gate	gate	NOUN
easat-10874	96	10	9	9	NUM
easat-10874	96	11	10	10	NUM
easat-10874	96	12	11	11	NUM
easat-10874	96	13	3.2	3.2	NUM
easat-10874	96	14	.	.	PUNCT
easat-10874	97	1	molecular	molecular	ADJ
easat-10874	97	2	docking	docking	NOUN
easat-10874	97	3	analysis	analysis	NOUN
easat-10874	97	4	the	the	DET
easat-10874	97	5	inhibiting	inhibit	VERB
easat-10874	97	6	activity	activity	NOUN
easat-10874	97	7	of	of	ADP
easat-10874	97	8	the	the	DET
easat-10874	97	9	eleven	eleven	NUM
easat-10874	97	10	compounds	compound	NOUN
easat-10874	97	11	was	be	AUX
easat-10874	97	12	examined	examine	VERB
easat-10874	97	13	via	via	ADP
easat-10874	97	14	induced	induce	VERB
easat-10874	97	15	fit	fit	ADJ
easat-10874	97	16	docking	docking	NOUN
easat-10874	97	17	against	against	ADP
easat-10874	97	18	thymidylate	thymidylate	NOUN
easat-10874	97	19	kinase	kinase	PROPN
easat-10874	97	20	from	from	ADP
easat-10874	97	21	gram	gram	NOUN
easat-10874	97	22	-	-	PUNCT
easat-10874	97	23	positive	positive	ADJ
easat-10874	97	24	bacteria	bacteria	NOUN
easat-10874	97	25	(	(	PUNCT
easat-10874	97	26	4hlc	4hlc	NOUN
easat-10874	97	27	)	)	PUNCT
easat-10874	97	28	and	and	CCONJ
easat-10874	97	29	gyrase	gyrase	PROPN
easat-10874	97	30	b	b	PROPN
easat-10874	97	31	from	from	ADP
easat-10874	97	32	thermus	thermus	PROPN
easat-10874	97	33	thermophilus	thermophilus	NOUN
easat-10874	97	34	(	(	PUNCT
easat-10874	97	35	1kij	1kij	NUM
easat-10874	97	36	)	)	PUNCT
easat-10874	97	37	.	.	PUNCT
easat-10874	98	1	table	table	NOUN
easat-10874	98	2	4	4	NUM
easat-10874	98	3	presents	present	VERB
easat-10874	98	4	the	the	DET
easat-10874	98	5	inhibiting	inhibit	VERB
easat-10874	98	6	activity	activity	NOUN
easat-10874	98	7	of	of	ADP
easat-10874	98	8	the	the	DET
easat-10874	98	9	eleven	eleven	NUM
easat-10874	98	10	compounds	compound	NOUN
easat-10874	98	11	via	via	ADP
easat-10874	98	12	induced	induce	VERB
easat-10874	98	13	fit	fit	ADJ
easat-10874	98	14	docking	docking	NOUN
easat-10874	98	15	against	against	ADP
easat-10874	98	16	thymidylate	thymidylate	NOUN
easat-10874	98	17	kinase	kinase	PROPN
easat-10874	98	18	from	from	ADP
easat-10874	98	19	gram	gram	NOUN
easat-10874	98	20	-	-	PUNCT
easat-10874	98	21	positive	positive	ADJ
easat-10874	98	22	bacteria	bacteria	NOUN
easat-10874	98	23	(	(	PUNCT
easat-10874	98	24	4hlc	4hlc	NOUN
easat-10874	98	25	)	)	PUNCT
easat-10874	98	26	and	and	CCONJ
easat-10874	98	27	gyrase	gyrase	PROPN
easat-10874	98	28	b	b	PROPN
easat-10874	98	29	from	from	ADP
easat-10874	98	30	thermus	thermus	PROPN
easat-10874	98	31	thermophilus	thermophilus	NOUN
easat-10874	98	32	(	(	PUNCT
easat-10874	98	33	1kij	1kij	NUM
easat-10874	98	34	)	)	PUNCT
easat-10874	98	35	,	,	PUNCT
easat-10874	98	36	and	and	CCONJ
easat-10874	98	37	compares	compare	VERB
easat-10874	98	38	the	the	DET
easat-10874	98	39	inhibiting	inhibit	VERB
easat-10874	98	40	capacity	capacity	NOUN
easat-10874	98	41	of	of	ADP
easat-10874	98	42	the	the	DET
easat-10874	98	43	lead	lead	NOUN
easat-10874	98	44	compound	compound	NOUN
easat-10874	98	45	to	to	ADP
easat-10874	98	46	the	the	DET
easat-10874	98	47	cephalosporins	cephalosporin	NOUN
easat-10874	98	48	(	(	PUNCT
easat-10874	98	49	reference	reference	NOUN
easat-10874	98	50	compound	compound	NOUN
easat-10874	98	51	)	)	PUNCT
easat-10874	98	52	.	.	PUNCT
easat-10874	99	1	it	it	PRON
easat-10874	99	2	is	be	AUX
easat-10874	99	3	observed	observe	VERB
easat-10874	99	4	that	that	SCONJ
easat-10874	99	5	all	all	DET
easat-10874	99	6	the	the	DET
easat-10874	99	7	studied	study	VERB
easat-10874	99	8	compounds	compound	NOUN
easat-10874	99	9	exhibit	exhibit	VERB
easat-10874	99	10	greater	great	ADJ
easat-10874	99	11	strength	strength	NOUN
easat-10874	99	12	against	against	ADP
easat-10874	99	13	the	the	DET
easat-10874	99	14	studied	study	VERB
easat-10874	99	15	receptors	receptor	NOUN
easat-10874	99	16	,	,	PUNCT
easat-10874	99	17	while	while	SCONJ
easat-10874	99	18	the	the	DET
easat-10874	99	19	reference	reference	NOUN
easat-10874	99	20	compound	compound	NOUN
easat-10874	99	21	possesses	possess	VERB
easat-10874	99	22	lesser	less	ADJ
easat-10874	99	23	capability	capability	NOUN
easat-10874	99	24	.	.	PUNCT
easat-10874	100	1	more	more	ADV
easat-10874	100	2	so	so	ADV
easat-10874	100	3	,	,	PUNCT
easat-10874	100	4	examination	examination	NOUN
easat-10874	100	5	of	of	ADP
easat-10874	100	6	each	each	PRON
easat-10874	100	7	of	of	ADP
easat-10874	100	8	the	the	DET
easat-10874	100	9	calculated	calculated	ADJ
easat-10874	100	10	binding	bind	VERB
easat-10874	100	11	affinities	affinity	NOUN
easat-10874	100	12	exposed	expose	VERB
easat-10874	100	13	the	the	DET
easat-10874	100	14	efficiency	efficiency	NOUN
easat-10874	100	15	of	of	ADP
easat-10874	100	16	compounds	compound	NOUN
easat-10874	100	17	9	9	NUM
easat-10874	100	18	and	and	CCONJ
easat-10874	100	19	5	5	NUM
easat-10874	100	20	against	against	ADP
easat-10874	100	21	thymidylate	thymidylate	NOUN
easat-10874	100	22	kinase	kinase	PROPN
easat-10874	100	23	from	from	ADP
easat-10874	100	24	gram	gram	NOUN
easat-10874	100	25	-	-	PUNCT
easat-10874	100	26	positive	positive	ADJ
easat-10874	100	27	bacteria	bacteria	NOUN
easat-10874	100	28	(	(	PUNCT
easat-10874	100	29	4hlc	4hlc	NOUN
easat-10874	100	30	)	)	PUNCT
easat-10874	100	31	and	and	CCONJ
easat-10874	100	32	gyrase	gyrase	PROPN
easat-10874	100	33	b	b	PROPN
easat-10874	100	34	from	from	ADP
easat-10874	100	35	thermus	thermus	PROPN
easat-10874	100	36	thermophilus	thermophilus	NOUN
easat-10874	100	37	(	(	PUNCT
easat-10874	100	38	1kij	1kij	NUM
easat-10874	100	39	)	)	PUNCT
easat-10874	100	40	,	,	PUNCT
easat-10874	100	41	respectively	respectively	ADV
easat-10874	100	42	.	.	PUNCT
easat-10874	101	1	the	the	DET
easat-10874	101	2	amino	amino	NOUN
easat-10874	101	3	acids	acid	NOUN
easat-10874	101	4	involved	involve	VERB
easat-10874	101	5	in	in	ADP
easat-10874	101	6	the	the	DET
easat-10874	101	7	interaction	interaction	NOUN
easat-10874	101	8	between	between	ADP
easat-10874	101	9	the	the	DET
easat-10874	101	10	compound	compound	NOUN
easat-10874	101	11	9	9	NUM
easat-10874	101	12	-	-	PUNCT
easat-10874	101	13	4hlc	4hlc	NUM
easat-10874	101	14	complex	complex	NOUN
easat-10874	101	15	were	be	AUX
easat-10874	101	16	arg	arg	NOUN
easat-10874	101	17	48	48	NUM
easat-10874	101	18	,	,	PUNCT
easat-10874	101	19	arg	arg	NOUN
easat-10874	101	20	36	36	NUM
easat-10874	101	21	,	,	PUNCT
easat-10874	101	22	ser	ser	NOUN
easat-10874	101	23	69	69	NUM
easat-10874	101	24	,	,	PUNCT
easat-10874	101	25	and	and	CCONJ
easat-10874	101	26	atoms	atom	NOUN
easat-10874	101	27	o7	o7	PROPN
easat-10874	101	28	,	,	PUNCT
easat-10874	101	29	o24	o24	PROPN
easat-10874	101	30	,	,	PUNCT
easat-10874	101	31	o29	o29	NOUN
easat-10874	101	32	involved	involve	VERB
easat-10874	101	33	in	in	ADP
easat-10874	101	34	the	the	DET
easat-10874	101	35	373	373	NUM
easat-10874	101	36	edelweiss	edelweiss	PROPN
easat-10874	101	37	applied	apply	VERB
easat-10874	101	38	science	science	NOUN
easat-10874	101	39	and	and	CCONJ
easat-10874	101	40	technology	technology	NOUN
easat-10874	101	41	issn	issn	PROPN
easat-10874	101	42	:	:	PUNCT
easat-10874	101	43	2576	2576	NUM
easat-10874	101	44	-	-	SYM
easat-10874	101	45	8484	8484	NUM
easat-10874	101	46	vol	vol	NOUN
easat-10874	101	47	.	.	PROPN
easat-10874	102	1	9	9	NUM
easat-10874	102	2	,	,	PUNCT
easat-10874	102	3	no	no	INTJ
easat-10874	102	4	.	.	NOUN
easat-10874	102	5	11	11	NUM
easat-10874	102	6	:	:	PUNCT
easat-10874	102	7	360	360	NUM
easat-10874	102	8	-	-	SYM
easat-10874	102	9	386	386	NUM
easat-10874	102	10	,	,	PUNCT
easat-10874	102	11	2025	2025	NUM
easat-10874	102	12	doi	doi	NOUN
easat-10874	102	13	:	:	PUNCT
easat-10874	102	14	10.55214/2576	10.55214/2576	NUM
easat-10874	102	15	-	-	SYM
easat-10874	102	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	103	1	©	©	ADP
easat-10874	103	2	2025	2025	NUM
easat-10874	103	3	by	by	ADP
easat-10874	103	4	the	the	DET
easat-10874	103	5	authors	author	NOUN
easat-10874	103	6	;	;	PUNCT
easat-10874	103	7	licensee	licensee	PROPN
easat-10874	103	8	learning	learn	VERB
easat-10874	103	9	gate	gate	NOUN
easat-10874	103	10	interaction	interaction	NOUN
easat-10874	103	11	,	,	PUNCT
easat-10874	103	12	which	which	PRON
easat-10874	103	13	resulted	result	VERB
easat-10874	103	14	in	in	ADP
easat-10874	103	15	lower	low	ADJ
easat-10874	103	16	binding	bind	VERB
easat-10874	103	17	affinity	affinity	NOUN
easat-10874	103	18	values	value	NOUN
easat-10874	103	19	.	.	PUNCT
easat-10874	104	1	additionally	additionally	ADV
easat-10874	104	2	,	,	PUNCT
easat-10874	104	3	glu	glu	NOUN
easat-10874	104	4	41	41	NUM
easat-10874	104	5	,	,	PUNCT
easat-10874	104	6	glu	glu	NOUN
easat-10874	104	7	49	49	NUM
easat-10874	104	8	,	,	PUNCT
easat-10874	104	9	val	val	NOUN
easat-10874	104	10	110	110	NUM
easat-10874	104	11	,	,	PUNCT
easat-10874	104	12	asn	asn	PROPN
easat-10874	104	13	45	45	NUM
easat-10874	104	14	,	,	PUNCT
easat-10874	104	15	and	and	CCONJ
easat-10874	104	16	atoms	atom	NOUN
easat-10874	104	17	c26	c26	NOUN
easat-10874	104	18	,	,	PUNCT
easat-10874	104	19	n38	n38	NOUN
easat-10874	104	20	,	,	PUNCT
easat-10874	104	21	s39	s39	PROPN
easat-10874	104	22	,	,	PUNCT
easat-10874	104	23	o24	o24	VERB
easat-10874	104	24	from	from	ADP
easat-10874	104	25	compound	compound	NOUN
easat-10874	104	26	5	5	NUM
easat-10874	104	27	were	be	AUX
easat-10874	104	28	involved	involve	VERB
easat-10874	104	29	in	in	ADP
easat-10874	104	30	the	the	DET
easat-10874	104	31	interaction	interaction	NOUN
easat-10874	104	32	.	.	PUNCT
easat-10874	105	1	therefore	therefore	ADV
easat-10874	105	2	,	,	PUNCT
easat-10874	105	3	the	the	DET
easat-10874	105	4	efficiency	efficiency	NOUN
easat-10874	105	5	of	of	ADP
easat-10874	105	6	compounds	compound	NOUN
easat-10874	105	7	9	9	NUM
easat-10874	105	8	and	and	CCONJ
easat-10874	105	9	5	5	NUM
easat-10874	105	10	could	could	AUX
easat-10874	105	11	be	be	AUX
easat-10874	105	12	attributed	attribute	VERB
easat-10874	105	13	to	to	ADP
easat-10874	105	14	the	the	DET
easat-10874	105	15	type	type	NOUN
easat-10874	105	16	and	and	CCONJ
easat-10874	105	17	position	position	NOUN
easat-10874	105	18	of	of	ADP
easat-10874	105	19	atoms	atom	NOUN
easat-10874	105	20	in	in	ADP
easat-10874	105	21	each	each	DET
easat-10874	105	22	ligand	ligand	NOUN
easat-10874	105	23	(	(	PUNCT
easat-10874	105	24	figure	figure	NOUN
easat-10874	105	25	1	1	NUM
easat-10874	105	26	)	)	PUNCT
easat-10874	105	27	(	(	PUNCT
easat-10874	105	28	tables	table	NOUN
easat-10874	105	29	5	5	NUM
easat-10874	105	30	-	-	SYM
easat-10874	105	31	7	7	NUM
easat-10874	105	32	)	)	PUNCT
easat-10874	105	33	.	.	PUNCT
easat-10874	106	1	furthermore	furthermore	ADV
easat-10874	106	2	,	,	PUNCT
easat-10874	106	3	the	the	DET
easat-10874	106	4	comparisons	comparison	NOUN
easat-10874	106	5	of	of	ADP
easat-10874	106	6	the	the	DET
easat-10874	106	7	inhibitory	inhibitory	ADJ
easat-10874	106	8	effects	effect	NOUN
easat-10874	106	9	of	of	ADP
easat-10874	106	10	the	the	DET
easat-10874	106	11	studied	study	VERB
easat-10874	106	12	compounds	compound	NOUN
easat-10874	106	13	against	against	ADP
easat-10874	106	14	the	the	DET
easat-10874	106	15	two	two	NUM
easat-10874	106	16	receptors	receptor	NOUN
easat-10874	106	17	are	be	AUX
easat-10874	106	18	displayed	display	VERB
easat-10874	106	19	in	in	ADP
easat-10874	106	20	figure	figure	NOUN
easat-10874	106	21	2	2	NUM
easat-10874	106	22	.	.	PUNCT
easat-10874	106	23	table	table	NOUN
easat-10874	106	24	4	4	NUM
easat-10874	106	25	.	.	PUNCT
easat-10874	106	26	calculated	calculate	VERB
easat-10874	106	27	scoring	scoring	NOUN
easat-10874	106	28	of	of	ADP
easat-10874	106	29	docked	docked	ADJ
easat-10874	106	30	studied	study	VERB
easat-10874	106	31	compounds	compound	NOUN
easat-10874	106	32	.	.	PUNCT
easat-10874	107	1	gram	gram	NOUN
easat-10874	107	2	positive	positive	ADJ
easat-10874	107	3	(	(	PUNCT
easat-10874	107	4	4hlc	4hlc	NOUN
easat-10874	107	5	)	)	PUNCT
easat-10874	107	6	gram	gram	NOUN
easat-10874	107	7	negative	negative	ADJ
easat-10874	107	8	(	(	PUNCT
easat-10874	107	9	1kij	1kij	NUM
easat-10874	107	10	)	)	PUNCT
easat-10874	107	11	binding	bind	VERB
easat-10874	107	12	affinity	affinity	NOUN
easat-10874	107	13	(	(	PUNCT
easat-10874	107	14	kcal	kcal	NOUN
easat-10874	107	15	/	/	SYM
easat-10874	107	16	mol	mol	NOUN
easat-10874	107	17	)	)	PUNCT
easat-10874	107	18	binding	bind	VERB
easat-10874	107	19	affinity	affinity	NOUN
easat-10874	107	20	(	(	PUNCT
easat-10874	107	21	kcal	kcal	NOUN
easat-10874	107	22	/	/	SYM
easat-10874	107	23	mol	mol	NOUN
easat-10874	107	24	)	)	PUNCT
easat-10874	107	25	1	1	NUM
easat-10874	107	26	-8.49	-8.49	NUM
easat-10874	107	27	-7.68	-7.68	NUM
easat-10874	107	28	2	2	NUM
easat-10874	107	29	-7.44	-7.44	NUM
easat-10874	107	30	-8.06	-8.06	NUM
easat-10874	107	31	3	3	NUM
easat-10874	107	32	-7.28	-7.28	NOUN
easat-10874	107	33	-8.53	-8.53	NOUN
easat-10874	107	34	4	4	NUM
easat-10874	107	35	-8.51	-8.51	NOUN
easat-10874	107	36	-7.97	-7.97	NOUN
easat-10874	107	37	5	5	NUM
easat-10874	107	38	-8.23	-8.23	NUM
easat-10874	107	39	-8.89	-8.89	NUM
easat-10874	107	40	6	6	NUM
easat-10874	107	41	-7.94	-7.94	NUM
easat-10874	107	42	-8.44	-8.44	PUNCT
easat-10874	107	43	7	7	NUM
easat-10874	107	44	-8.61	-8.61	NUM
easat-10874	107	45	-7.83	-7.83	NUM
easat-10874	107	46	8	8	NUM
easat-10874	107	47	-7.58	-7.58	NOUN
easat-10874	107	48	-6.96	-6.96	NOUN
easat-10874	107	49	9	9	NUM
easat-10874	107	50	-8.63	-8.63	NUM
easat-10874	107	51	-6.04	-6.04	NUM
easat-10874	107	52	10	10	NUM
easat-10874	107	53	-7.47	-7.47	NOUN
easat-10874	107	54	-7.24	-7.24	NUM
easat-10874	107	55	11	11	NUM
easat-10874	107	56	-8.06	-8.06	NUM
easat-10874	107	57	-8.01	-8.01	ADP
easat-10874	107	58	ref	ref	PROPN
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easat-10874	107	60	-6.81	-6.81	PROPN
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easat-10874	107	62	:	:	PUNCT
easat-10874	107	63	ref	ref	NOUN
easat-10874	107	64	:	:	PUNCT
easat-10874	107	65	cephalosporins	cephalosporin	NOUN
easat-10874	107	66	.	.	PUNCT
easat-10874	108	1	figure	figure	NOUN
easat-10874	108	2	1	1	NUM
easat-10874	108	3	.	.	PUNCT
easat-10874	109	1	binding	bind	VERB
easat-10874	109	2	affinity	affinity	NOUN
easat-10874	109	3	comparison	comparison	NOUN
easat-10874	109	4	(	(	PUNCT
easat-10874	109	5	kcal	kcal	NOUN
easat-10874	109	6	/	/	SYM
easat-10874	109	7	mol	mol	NOUN
easat-10874	109	8	)	)	PUNCT
easat-10874	109	9	.	.	PUNCT
easat-10874	110	1	374	374	NUM
easat-10874	110	2	edelweiss	edelweiss	PROPN
easat-10874	110	3	applied	apply	VERB
easat-10874	110	4	science	science	NOUN
easat-10874	110	5	and	and	CCONJ
easat-10874	110	6	technology	technology	NOUN
easat-10874	110	7	issn	issn	PROPN
easat-10874	110	8	:	:	PUNCT
easat-10874	110	9	2576	2576	NUM
easat-10874	110	10	-	-	SYM
easat-10874	110	11	8484	8484	NUM
easat-10874	110	12	vol	vol	NOUN
easat-10874	110	13	.	.	PROPN
easat-10874	111	1	9	9	NUM
easat-10874	111	2	,	,	PUNCT
easat-10874	111	3	no	no	INTJ
easat-10874	111	4	.	.	NOUN
easat-10874	111	5	11	11	NUM
easat-10874	111	6	:	:	PUNCT
easat-10874	111	7	360	360	NUM
easat-10874	111	8	-	-	SYM
easat-10874	111	9	386	386	NUM
easat-10874	111	10	,	,	PUNCT
easat-10874	111	11	2025	2025	NUM
easat-10874	111	12	doi	doi	NOUN
easat-10874	111	13	:	:	PUNCT
easat-10874	111	14	10.55214/2576	10.55214/2576	NUM
easat-10874	111	15	-	-	SYM
easat-10874	111	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	112	1	©	©	ADP
easat-10874	112	2	2025	2025	NUM
easat-10874	112	3	by	by	ADP
easat-10874	112	4	the	the	DET
easat-10874	112	5	authors	author	NOUN
easat-10874	112	6	;	;	PUNCT
easat-10874	112	7	licensee	licensee	PROPN
easat-10874	112	8	learning	learn	VERB
easat-10874	112	9	gate	gate	NOUN
easat-10874	112	10	figure	figure	NOUN
easat-10874	112	11	2	2	NUM
easat-10874	112	12	.	.	PUNCT
easat-10874	112	13	binding	bind	VERB
easat-10874	112	14	affinity	affinity	NOUN
easat-10874	112	15	grouped	group	VERB
easat-10874	112	16	bar	bar	NOUN
easat-10874	112	17	chart	chart	NOUN
easat-10874	112	18	.	.	PUNCT
easat-10874	113	1	375	375	NUM
easat-10874	113	2	edelweiss	edelweiss	PROPN
easat-10874	113	3	applied	apply	VERB
easat-10874	113	4	science	science	NOUN
easat-10874	113	5	and	and	CCONJ
easat-10874	113	6	technology	technology	NOUN
easat-10874	113	7	issn	issn	PROPN
easat-10874	113	8	:	:	PUNCT
easat-10874	113	9	2576	2576	NUM
easat-10874	113	10	-	-	SYM
easat-10874	113	11	8484	8484	NUM
easat-10874	113	12	vol	vol	NOUN
easat-10874	113	13	.	.	PROPN
easat-10874	114	1	9	9	NUM
easat-10874	114	2	,	,	PUNCT
easat-10874	114	3	no	no	INTJ
easat-10874	114	4	.	.	NOUN
easat-10874	114	5	11	11	NUM
easat-10874	114	6	:	:	PUNCT
easat-10874	114	7	360	360	NUM
easat-10874	114	8	-	-	SYM
easat-10874	114	9	386	386	NUM
easat-10874	114	10	,	,	PUNCT
easat-10874	114	11	2025	2025	NUM
easat-10874	114	12	doi	doi	NOUN
easat-10874	114	13	:	:	PUNCT
easat-10874	114	14	10.55214/2576	10.55214/2576	NUM
easat-10874	114	15	-	-	SYM
easat-10874	114	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	115	1	©	©	ADP
easat-10874	115	2	2025	2025	NUM
easat-10874	115	3	by	by	ADP
easat-10874	115	4	the	the	DET
easat-10874	115	5	authors	author	NOUN
easat-10874	115	6	;	;	PUNCT
easat-10874	115	7	licensee	licensee	PROPN
easat-10874	115	8	learning	learn	VERB
easat-10874	115	9	gate	gate	NOUN
easat-10874	115	10	table	table	NOUN
easat-10874	115	11	5	5	NUM
easat-10874	115	12	.	.	PUNCT
easat-10874	115	13	types	type	NOUN
easat-10874	115	14	of	of	ADP
easat-10874	115	15	interactions	interaction	NOUN
easat-10874	115	16	involved	involve	VERB
easat-10874	115	17	in	in	ADP
easat-10874	115	18	the	the	DET
easat-10874	115	19	studied	study	VERB
easat-10874	115	20	compounds	compound	NOUN
easat-10874	115	21	against	against	ADP
easat-10874	115	22	4hlc	4hlc	PROPN
easat-10874	115	23	.	.	PUNCT
easat-10874	116	1	ligand	ligand	ADJ
easat-10874	116	2	receptor	receptor	NOUN
easat-10874	116	3	interaction	interaction	NOUN
easat-10874	116	4	distance	distance	NOUN
easat-10874	116	5	e	e	NOUN
easat-10874	116	6	(	(	PUNCT
easat-10874	116	7	kcal	kcal	PROPN
easat-10874	116	8	/	/	SYM
easat-10874	116	9	mol	mol	NOUN
easat-10874	116	10	)	)	PUNCT
easat-10874	116	11	1	1	NUM
easat-10874	116	12	o	o	NOUN
easat-10874	116	13	7	7	NUM
easat-10874	116	14	o	o	NOUN
easat-10874	116	15	13	13	NUM
easat-10874	116	16	o	o	NOUN
easat-10874	116	17	13	13	NUM
easat-10874	116	18	n	n	NUM
easat-10874	116	19	46	46	NUM
easat-10874	116	20	ne	ne	NOUN
easat-10874	116	21	arg	arg	VERB
easat-10874	116	22	36	36	NUM
easat-10874	116	23	(	(	PUNCT
easat-10874	116	24	a	a	PRON
easat-10874	116	25	)	)	PUNCT
easat-10874	116	26	ne	ne	PROPN
easat-10874	116	27	arg	arg	NOUN
easat-10874	116	28	48	48	NUM
easat-10874	116	29	(	(	PUNCT
easat-10874	116	30	a	a	NOUN
easat-10874	116	31	)	)	PUNCT
easat-10874	116	32	nh2	nh2	PROPN
easat-10874	116	33	arg	arg	NOUN
easat-10874	116	34	48	48	NUM
easat-10874	116	35	(	(	PUNCT
easat-10874	116	36	a	a	X
easat-10874	116	37	)	)	PUNCT
easat-10874	116	38	nh2	nh2	PROPN
easat-10874	116	39	arg	arg	NOUN
easat-10874	116	40	92	92	NUM
easat-10874	116	41	(	(	PUNCT
easat-10874	116	42	a	a	NOUN
easat-10874	116	43	)	)	PUNCT
easat-10874	116	44	h	h	ADJ
easat-10874	116	45	-	-	PUNCT
easat-10874	116	46	acceptor	acceptor	NOUN
easat-10874	116	47	hacceptor	hacceptor	NOUN
easat-10874	116	48	hacceptor	hacceptor	PROPN
easat-10874	116	49	hacceptor	hacceptor	PROPN
easat-10874	116	50	3.08	3.08	NUM
easat-10874	116	51	2.95	2.95	NUM
easat-10874	116	52	2.67	2.67	NUM
easat-10874	116	53	3.37	3.37	NUM
easat-10874	116	54	-1.5	-1.5	SYM
easat-10874	116	55	-1.7	-1.7	PROPN
easat-10874	116	56	-2.9	-2.9	PROPN
easat-10874	116	57	-0.6	-0.6	X
easat-10874	116	58	2	2	NUM
easat-10874	116	59	n	n	NUM
easat-10874	116	60	40	40	NUM
easat-10874	116	61	n	n	NUM
easat-10874	116	62	39	39	NUM
easat-10874	116	63	oe1	oe1	NOUN
easat-10874	116	64	glu	glu	NOUN
easat-10874	116	65	62	62	NUM
easat-10874	116	66	(	(	PUNCT
easat-10874	116	67	a	a	PRON
easat-10874	116	68	)	)	PUNCT
easat-10874	116	69	ne	ne	PROPN
easat-10874	116	70	arg	arg	NOUN
easat-10874	116	71	105	105	NUM
easat-10874	116	72	(	(	PUNCT
easat-10874	116	73	a	a	NOUN
easat-10874	116	74	)	)	PUNCT
easat-10874	116	75	h	h	NOUN
easat-10874	116	76	-	-	PUNCT
easat-10874	116	77	donor	donor	NOUN
easat-10874	116	78	hacceptor	hacceptor	NOUN
easat-10874	116	79	2.94	2.94	NUM
easat-10874	116	80	2.92	2.92	NUM
easat-10874	116	81	-0.6	-0.6	X
easat-10874	116	82	-1.4	-1.4	PROPN
easat-10874	116	83	3	3	NUM
easat-10874	116	84	c	c	NOUN
easat-10874	116	85	9	9	NUM
easat-10874	116	86	n	n	NUM
easat-10874	116	87	40	40	NUM
easat-10874	116	88	o	o	NOUN
easat-10874	116	89	12	12	NUM
easat-10874	116	90	o	o	NOUN
easat-10874	116	91	12	12	NUM
easat-10874	116	92	o	o	NOUN
easat-10874	116	93	28	28	NUM
easat-10874	116	94	oe2	oe2	NOUN
easat-10874	116	95	glu	glu	NOUN
easat-10874	116	96	11	11	NUM
easat-10874	116	97	(	(	PUNCT
easat-10874	116	98	a	a	X
easat-10874	116	99	)	)	PUNCT
easat-10874	116	100	og1	og1	NOUN
easat-10874	116	101	thr	thr	PROPN
easat-10874	116	102	17	17	NUM
easat-10874	116	103	(	(	PUNCT
easat-10874	116	104	a	a	NOUN
easat-10874	116	105	)	)	PUNCT
easat-10874	116	106	nz	nz	PROPN
easat-10874	116	107	lys	lys	PROPN
easat-10874	116	108	15	15	NUM
easat-10874	116	109	(	(	PUNCT
easat-10874	116	110	a	a	X
easat-10874	116	111	)	)	PUNCT
easat-10874	116	112	nh2	nh2	PROPN
easat-10874	116	113	arg	arg	NOUN
easat-10874	116	114	92	92	NUM
easat-10874	116	115	(	(	PUNCT
easat-10874	116	116	a	a	NOUN
easat-10874	116	117	)	)	PUNCT
easat-10874	117	1	n	n	CCONJ
easat-10874	117	2	gly	gly	NOUN
easat-10874	117	3	14	14	NUM
easat-10874	117	4	(	(	PUNCT
easat-10874	117	5	a	a	NOUN
easat-10874	117	6	)	)	PUNCT
easat-10874	117	7	h	h	NOUN
easat-10874	117	8	-	-	PUNCT
easat-10874	117	9	donor	donor	NOUN
easat-10874	117	10	hdonor	hdonor	PROPN
easat-10874	117	11	hacceptor	hacceptor	PROPN
easat-10874	117	12	hacceptor	hacceptor	PROPN
easat-10874	117	13	hacceptor	hacceptor	PROPN
easat-10874	117	14	3.02	3.02	NUM
easat-10874	117	15	2.97	2.97	NUM
easat-10874	117	16	3.06	3.06	NUM
easat-10874	117	17	2.78	2.78	NUM
easat-10874	117	18	3.14	3.14	NUM
easat-10874	117	19	-0.8	-0.8	PROPN
easat-10874	117	20	-1.5	-1.5	PUNCT
easat-10874	117	21	-1.8	-1.8	PROPN
easat-10874	117	22	-4.0	-4.0	X
easat-10874	117	23	-1.2	-1.2	X
easat-10874	117	24	4	4	NUM
easat-10874	117	25	n	n	NUM
easat-10874	117	26	21	21	NUM
easat-10874	117	27	o	o	NOUN
easat-10874	117	28	30	30	NUM
easat-10874	117	29	oe1	oe1	NOUN
easat-10874	117	30	gln	gln	NOUN
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easat-10874	117	32	(	(	PUNCT
easat-10874	117	33	a	a	X
easat-10874	117	34	)	)	PUNCT
easat-10874	117	35	nh2	nh2	PROPN
easat-10874	117	36	arg	arg	NOUN
easat-10874	117	37	48	48	NUM
easat-10874	117	38	(	(	PUNCT
easat-10874	117	39	a	a	NOUN
easat-10874	117	40	)	)	PUNCT
easat-10874	117	41	h	h	NOUN
easat-10874	117	42	-	-	PUNCT
easat-10874	117	43	donor	donor	NOUN
easat-10874	117	44	hacceptor	hacceptor	NOUN
easat-10874	117	45	2.92	2.92	NUM
easat-10874	117	46	2.82	2.82	NUM
easat-10874	117	47	-2.6	-2.6	PROPN
easat-10874	117	48	-1.3	-1.3	PROPN
easat-10874	117	49	5	5	NUM
easat-10874	117	50	n	n	NUM
easat-10874	117	51	22	22	NUM
easat-10874	117	52	n	n	NUM
easat-10874	117	53	38	38	NUM
easat-10874	117	54	o	o	NOUN
easat-10874	117	55	13	13	NUM
easat-10874	117	56	o	o	NOUN
easat-10874	117	57	29	29	NUM
easat-10874	117	58	od2	od2	NOUN
easat-10874	117	59	asp	asp	NOUN
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easat-10874	117	61	(	(	PUNCT
easat-10874	117	62	a	a	X
easat-10874	117	63	)	)	PUNCT
easat-10874	117	64	oe1	oe1	NOUN
easat-10874	117	65	glu	glu	NOUN
easat-10874	117	66	62	62	NUM
easat-10874	117	67	(	(	PUNCT
easat-10874	117	68	a	a	NOUN
easat-10874	117	69	)	)	PUNCT
easat-10874	117	70	nz	nz	PROPN
easat-10874	117	71	lys	lys	PROPN
easat-10874	117	72	15	15	NUM
easat-10874	117	73	(	(	PUNCT
easat-10874	117	74	a	a	NOUN
easat-10874	117	75	)	)	PUNCT
easat-10874	117	76	cb	cb	PROPN
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easat-10874	117	79	(	(	PUNCT
easat-10874	117	80	a	a	NOUN
easat-10874	117	81	)	)	PUNCT
easat-10874	117	82	h	h	NOUN
easat-10874	117	83	-	-	PUNCT
easat-10874	117	84	donor	donor	NOUN
easat-10874	117	85	h	h	NOUN
easat-10874	117	86	-	-	PUNCT
easat-10874	117	87	donor	donor	NOUN
easat-10874	117	88	hacceptor	hacceptor	NOUN
easat-10874	117	89	hacceptor	hacceptor	NOUN
easat-10874	117	90	3.11	3.11	NUM
easat-10874	117	91	‘	'	PUNCT
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easat-10874	117	93	3.02	3.02	NUM
easat-10874	117	94	3.35	3.35	NUM
easat-10874	117	95	-1.5	-1.5	PUNCT
easat-10874	117	96	-2.9	-2.9	PROPN
easat-10874	117	97	-4.2	-4.2	PROPN
easat-10874	117	98	-0.6	-0.6	NOUN
easat-10874	117	99	6	6	NUM
easat-10874	117	100	7	7	NUM
easat-10874	117	101	o	o	NOUN
easat-10874	117	102	30	30	NUM
easat-10874	117	103	o	o	NOUN
easat-10874	117	104	30	30	NUM
easat-10874	117	105	n	n	NOUN
easat-10874	117	106	38	38	NUM
easat-10874	117	107	n	n	NUM
easat-10874	117	108	38	38	NUM
easat-10874	117	109	nz	nz	PROPN
easat-10874	117	110	lys	lys	NOUN
easat-10874	117	111	15	15	NUM
easat-10874	117	112	(	(	PUNCT
easat-10874	117	113	a	a	X
easat-10874	117	114	)	)	PUNCT
easat-10874	117	115	nh2	nh2	PROPN
easat-10874	117	116	arg	arg	NOUN
easat-10874	117	117	92	92	NUM
easat-10874	117	118	(	(	PUNCT
easat-10874	117	119	a	a	NOUN
easat-10874	117	120	)	)	PUNCT
easat-10874	117	121	cd	cd	PROPN
easat-10874	117	122	arg	arg	NOUN
easat-10874	117	123	36	36	NUM
easat-10874	117	124	(	(	PUNCT
easat-10874	117	125	a	a	X
easat-10874	117	126	)	)	PUNCT
easat-10874	117	127	nh2	nh2	PROPN
easat-10874	117	128	arg	arg	NOUN
easat-10874	117	129	36	36	NUM
easat-10874	117	130	(	(	PUNCT
easat-10874	117	131	a	a	NOUN
easat-10874	117	132	)	)	PUNCT
easat-10874	117	133	h	h	ADJ
easat-10874	117	134	-	-	PUNCT
easat-10874	117	135	acceptor	acceptor	NOUN
easat-10874	117	136	hacceptor	hacceptor	NOUN
easat-10874	117	137	hacceptor	hacceptor	PROPN
easat-10874	117	138	hacceptor	hacceptor	PROPN
easat-10874	117	139	3.25	3.25	NUM
easat-10874	118	1	3.18	3.18	NUM
easat-10874	118	2	3.44	3.44	NUM
easat-10874	118	3	2.86	2.86	NUM
easat-10874	118	4	-3.0	-3.0	PUNCT
easat-10874	118	5	-2.7	-2.7	PROPN
easat-10874	118	6	-0.6	-0.6	X
easat-10874	118	7	-5.2	-5.2	NOUN
easat-10874	118	8	8	8	NUM
easat-10874	118	9	n	n	NUM
easat-10874	118	10	21	21	NUM
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easat-10874	118	13	n	n	NUM
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easat-10874	118	15	n	n	NUM
easat-10874	118	16	43	43	NUM
easat-10874	118	17	n	n	NUM
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easat-10874	118	19	oe2	oe2	NOUN
easat-10874	118	20	glu	glu	NOUN
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easat-10874	118	22	(	(	PUNCT
easat-10874	118	23	a	a	X
easat-10874	118	24	)	)	PUNCT
easat-10874	118	25	oe2	oe2	PROPN
easat-10874	118	26	glu	glu	NOUN
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easat-10874	118	28	(	(	PUNCT
easat-10874	118	29	a	a	X
easat-10874	118	30	)	)	PUNCT
easat-10874	118	31	ne	ne	PROPN
easat-10874	118	32	arg	arg	NOUN
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easat-10874	118	34	(	(	PUNCT
easat-10874	118	35	a	a	X
easat-10874	118	36	)	)	PUNCT
easat-10874	118	37	nh2	nh2	PROPN
easat-10874	118	38	arg	arg	NOUN
easat-10874	118	39	105	105	NUM
easat-10874	118	40	(	(	PUNCT
easat-10874	118	41	a	a	NOUN
easat-10874	118	42	)	)	PUNCT
easat-10874	118	43	6	6	NUM
easat-10874	118	44	-	-	PUNCT
easat-10874	118	45	ring	ring	NOUN
easat-10874	118	46	tyr	tyr	NOUN
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easat-10874	118	49	a	a	X
easat-10874	118	50	)	)	PUNCT
easat-10874	118	51	h	h	NOUN
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easat-10874	118	54	hdonor	hdonor	PROPN
easat-10874	118	55	hacceptor	hacceptor	PROPN
easat-10874	118	56	hacceptor	hacceptor	PROPN
easat-10874	118	57	h	h	PROPN
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easat-10874	118	62	3.55	3.55	NUM
easat-10874	118	63	3.51	3.51	NUM
easat-10874	118	64	3.75	3.75	NUM
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easat-10874	118	70	9	9	NUM
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easat-10874	118	73	o	o	NOUN
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easat-10874	118	75	o	o	NOUN
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easat-10874	118	77	nh2	nh2	NOUN
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easat-10874	118	80	(	(	PUNCT
easat-10874	118	81	a	a	NOUN
easat-10874	118	82	)	)	PUNCT
easat-10874	118	83	cd	cd	PROPN
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easat-10874	118	86	(	(	PUNCT
easat-10874	118	87	a	a	NOUN
easat-10874	118	88	)	)	PUNCT
easat-10874	118	89	og	og	PROPN
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easat-10874	118	92	(	(	PUNCT
easat-10874	118	93	a	a	X
easat-10874	118	94	)	)	PUNCT
easat-10874	118	95	h	h	ADJ
easat-10874	118	96	-	-	PUNCT
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easat-10874	118	102	3.28	3.28	NUM
easat-10874	118	103	-0.5	-0.5	NUM
easat-10874	118	104	-0.9	-0.9	PROPN
easat-10874	118	105	-0.5	-0.5	NUM
easat-10874	118	106	10	10	NUM
easat-10874	118	107	n	n	NUM
easat-10874	118	108	22	22	NUM
easat-10874	118	109	o	o	NOUN
easat-10874	118	110	2	2	NUM
easat-10874	118	111	oe2	oe2	NOUN
easat-10874	118	112	glu	glu	NOUN
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easat-10874	118	114	(	(	PUNCT
easat-10874	118	115	a	a	NOUN
easat-10874	118	116	)	)	PUNCT
easat-10874	118	117	nz	nz	PROPN
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easat-10874	118	120	(	(	PUNCT
easat-10874	118	121	a	a	NOUN
easat-10874	118	122	)	)	PUNCT
easat-10874	118	123	h	h	NOUN
easat-10874	118	124	-	-	PUNCT
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easat-10874	118	126	hacceptor	hacceptor	NOUN
easat-10874	118	127	3.12	3.12	NUM
easat-10874	118	128	3.49	3.49	NUM
easat-10874	118	129	-1.1	-1.1	X
easat-10874	118	130	-1.4	-1.4	PROPN
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easat-10874	118	132	o	o	NOUN
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easat-10874	118	134	o	o	NOUN
easat-10874	118	135	7	7	NUM
easat-10874	118	136	n	n	NUM
easat-10874	118	137	35	35	NUM
easat-10874	118	138	n	n	NUM
easat-10874	118	139	38	38	NUM
easat-10874	118	140	ne	ne	NOUN
easat-10874	118	141	arg	arg	NOUN
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easat-10874	118	143	(	(	PUNCT
easat-10874	118	144	a	a	NOUN
easat-10874	118	145	)	)	PUNCT
easat-10874	118	146	nh2	nh2	PROPN
easat-10874	118	147	arg	arg	NOUN
easat-10874	118	148	48	48	NUM
easat-10874	118	149	(	(	PUNCT
easat-10874	118	150	a	a	NOUN
easat-10874	118	151	)	)	PUNCT
easat-10874	118	152	6	6	NUM
easat-10874	118	153	-	-	PUNCT
easat-10874	118	154	ring	ring	NOUN
easat-10874	118	155	phe	phe	NOUN
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easat-10874	118	157	(	(	PUNCT
easat-10874	118	158	a	a	NOUN
easat-10874	118	159	)	)	PUNCT
easat-10874	118	160	6	6	NUM
easat-10874	118	161	-	-	PUNCT
easat-10874	118	162	ring	ring	NOUN
easat-10874	118	163	tyr	tyr	NOUN
easat-10874	118	164	100	100	NUM
easat-10874	118	165	(	(	PUNCT
easat-10874	118	166	a	a	NOUN
easat-10874	118	167	)	)	PUNCT
easat-10874	118	168	h	h	ADJ
easat-10874	118	169	-	-	PUNCT
easat-10874	118	170	acceptor	acceptor	NOUN
easat-10874	118	171	hacceptor	hacceptor	NOUN
easat-10874	118	172	h	h	PROPN
easat-10874	118	173	-	-	PUNCT
easat-10874	118	174	pi	pi	NOUN
easat-10874	118	175	h	h	NOUN
easat-10874	118	176	-	-	PUNCT
easat-10874	118	177	pi	pi	NOUN
easat-10874	118	178	3.11	3.11	NUM
easat-10874	118	179	2.83	2.83	NUM
easat-10874	118	180	3.55	3.55	NUM
easat-10874	118	181	3.46	3.46	NUM
easat-10874	118	182	-0.5	-0.5	PROPN
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easat-10874	118	186	376	376	NUM
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easat-10874	118	189	science	science	NOUN
easat-10874	118	190	and	and	CCONJ
easat-10874	118	191	technology	technology	NOUN
easat-10874	118	192	issn	issn	PROPN
easat-10874	118	193	:	:	PUNCT
easat-10874	118	194	2576	2576	NUM
easat-10874	118	195	-	-	SYM
easat-10874	118	196	8484	8484	NUM
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easat-10874	118	198	.	.	PROPN
easat-10874	119	1	9	9	NUM
easat-10874	119	2	,	,	PUNCT
easat-10874	119	3	no	no	INTJ
easat-10874	119	4	.	.	NOUN
easat-10874	119	5	11	11	NUM
easat-10874	119	6	:	:	PUNCT
easat-10874	119	7	360	360	NUM
easat-10874	119	8	-	-	SYM
easat-10874	119	9	386	386	NUM
easat-10874	119	10	,	,	PUNCT
easat-10874	119	11	2025	2025	NUM
easat-10874	119	12	doi	doi	NOUN
easat-10874	119	13	:	:	PUNCT
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easat-10874	119	15	-	-	SYM
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easat-10874	120	2	2025	2025	NUM
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easat-10874	120	5	authors	author	NOUN
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easat-10874	120	7	licensee	licensee	PROPN
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easat-10874	120	11	6	6	NUM
easat-10874	120	12	.	.	PUNCT
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easat-10874	120	16	involved	involve	VERB
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easat-10874	120	18	the	the	DET
easat-10874	120	19	studied	study	VERB
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easat-10874	120	22	1kij	1kij	NUM
easat-10874	120	23	.	.	PUNCT
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easat-10874	121	2	receptor	receptor	NOUN
easat-10874	121	3	interaction	interaction	NOUN
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easat-10874	121	6	(	(	PUNCT
easat-10874	121	7	kcal	kcal	PROPN
easat-10874	121	8	/	/	SYM
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easat-10874	121	10	)	)	PUNCT
easat-10874	121	11	1	1	NUM
easat-10874	121	12	n	n	NUM
easat-10874	121	13	19	19	NUM
easat-10874	121	14	n	n	NUM
easat-10874	121	15	47	47	NUM
easat-10874	121	16	o	o	NOUN
easat-10874	121	17	13	13	NUM
easat-10874	121	18	o	o	NOUN
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easat-10874	121	21	(	(	PUNCT
easat-10874	121	22	a	a	NOUN
easat-10874	121	23	)	)	PUNCT
easat-10874	121	24	o	o	NOUN
easat-10874	121	25	glu	glu	NOUN
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easat-10874	121	27	(	(	PUNCT
easat-10874	121	28	a	a	NOUN
easat-10874	121	29	)	)	PUNCT
easat-10874	121	30	n	n	NOUN
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easat-10874	121	33	(	(	PUNCT
easat-10874	121	34	a	a	NOUN
easat-10874	121	35	)	)	PUNCT
easat-10874	121	36	h	h	NOUN
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easat-10874	121	39	hdonor	hdonor	NOUN
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easat-10874	121	44	-1.4	-1.4	NOUN
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easat-10874	121	47	2	2	NUM
easat-10874	121	48	n	n	NUM
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easat-10874	121	50	n	n	NUM
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easat-10874	121	52	n	n	NUM
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easat-10874	121	54	n	n	NUM
easat-10874	121	55	21	21	NUM
easat-10874	121	56	n	n	NUM
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easat-10874	121	58	o	o	NOUN
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easat-10874	121	60	o	o	NOUN
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easat-10874	121	62	c	c	NOUN
easat-10874	121	63	4	4	NUM
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easat-10874	121	68	a	a	X
easat-10874	121	69	)	)	PUNCT
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easat-10874	121	75	)	)	PUNCT
easat-10874	121	76	o	o	NOUN
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easat-10874	121	79	(	(	PUNCT
easat-10874	121	80	a	a	NOUN
easat-10874	121	81	)	)	PUNCT
easat-10874	121	82	o	o	NOUN
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easat-10874	121	85	(	(	PUNCT
easat-10874	121	86	a	a	NOUN
easat-10874	121	87	)	)	PUNCT
easat-10874	121	88	o	o	NOUN
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easat-10874	121	91	(	(	PUNCT
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easat-10874	121	97	(	(	PUNCT
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easat-10874	121	99	)	)	PUNCT
easat-10874	121	100	nz	nz	PROPN
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easat-10874	121	104	a	a	NOUN
easat-10874	121	105	)	)	PUNCT
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easat-10874	121	112	a	a	NOUN
easat-10874	121	113	)	)	PUNCT
easat-10874	121	114	h	h	NOUN
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easat-10874	121	119	hdonor	hdonor	PROPN
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easat-10874	121	154	(	(	PUNCT
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easat-10874	121	156	)	)	PUNCT
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easat-10874	121	162	)	)	PUNCT
easat-10874	121	163	h	h	NOUN
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easat-10874	121	193	(	(	PUNCT
easat-10874	121	194	a	a	NOUN
easat-10874	121	195	)	)	PUNCT
easat-10874	121	196	h	h	NOUN
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easat-10874	121	220	a	a	X
easat-10874	121	221	)	)	PUNCT
easat-10874	121	222	oe2	oe2	PROPN
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easat-10874	121	225	(	(	PUNCT
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easat-10874	121	227	)	)	PUNCT
easat-10874	121	228	o	o	NOUN
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easat-10874	122	1	110	110	NUM
easat-10874	122	2	(	(	PUNCT
easat-10874	122	3	a	a	X
easat-10874	122	4	)	)	PUNCT
easat-10874	122	5	nd2	nd2	NOUN
easat-10874	122	6	asn	asn	PROPN
easat-10874	122	7	45	45	NUM
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easat-10874	122	9	a	a	NOUN
easat-10874	122	10	)	)	PUNCT
easat-10874	122	11	h	h	NOUN
easat-10874	122	12	-	-	PUNCT
easat-10874	122	13	donor	donor	NOUN
easat-10874	122	14	hdonor	hdonor	NOUN
easat-10874	122	15	h	h	NOUN
easat-10874	122	16	-	-	PUNCT
easat-10874	122	17	donor	donor	NOUN
easat-10874	122	18	h	h	NOUN
easat-10874	122	19	-	-	PUNCT
easat-10874	122	20	acceptor	acceptor	NOUN
easat-10874	122	21	3.46	3.46	NUM
easat-10874	122	22	3.26	3.26	NUM
easat-10874	122	23	3.12	3.12	NUM
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easat-10874	122	25	-0.9	-0.9	NOUN
easat-10874	122	26	-0.7	-0.7	PROPN
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easat-10874	122	28	-0.8	-0.8	PROPN
easat-10874	122	29	6	6	NUM
easat-10874	122	30	c	c	NOUN
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easat-10874	122	32	c	c	NOUN
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easat-10874	122	34	n	n	PRON
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easat-10874	122	36	o	o	NOUN
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easat-10874	122	38	o	o	NOUN
easat-10874	122	39	23	23	NUM
easat-10874	122	40	o	o	NOUN
easat-10874	122	41	28	28	NUM
easat-10874	122	42	s	s	NOUN
easat-10874	122	43	39	39	NUM
easat-10874	122	44	s	s	NOUN
easat-10874	122	45	39	39	NUM
easat-10874	122	46	o	o	NOUN
easat-10874	122	47	val	val	NOUN
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easat-10874	122	49	(	(	PUNCT
easat-10874	122	50	a	a	X
easat-10874	122	51	)	)	PUNCT
easat-10874	122	52	oe1	oe1	NOUN
easat-10874	122	53	glu	glu	NOUN
easat-10874	122	54	41	41	NUM
easat-10874	123	1	(	(	PUNCT
easat-10874	123	2	a	a	NOUN
easat-10874	123	3	)	)	PUNCT
easat-10874	123	4	o	o	NOUN
easat-10874	123	5	ser	ser	NOUN
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easat-10874	123	7	(	(	PUNCT
easat-10874	123	8	a	a	NOUN
easat-10874	123	9	)	)	PUNCT
easat-10874	123	10	n	n	NOUN
easat-10874	123	11	gly	gly	ADV
easat-10874	123	12	112	112	NUM
easat-10874	123	13	(	(	PUNCT
easat-10874	123	14	a	a	X
easat-10874	123	15	)	)	PUNCT
easat-10874	123	16	nz	nz	PROPN
easat-10874	123	17	lys	lys	NOUN
easat-10874	123	18	337	337	NUM
easat-10874	123	19	(	(	PUNCT
easat-10874	123	20	a	a	NOUN
easat-10874	123	21	)	)	PUNCT
easat-10874	123	22	og	og	PROPN
easat-10874	123	23	ser	ser	PROPN
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easat-10874	123	25	(	(	PUNCT
easat-10874	123	26	a	a	NOUN
easat-10874	123	27	)	)	PUNCT
easat-10874	123	28	ca	can	AUX
easat-10874	123	29	his	his	PRON
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easat-10874	123	31	(	(	PUNCT
easat-10874	123	32	a	a	NOUN
easat-10874	123	33	)	)	PUNCT
easat-10874	123	34	n	n	NOUN
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easat-10874	123	36	116	116	NUM
easat-10874	123	37	(	(	PUNCT
easat-10874	123	38	a	a	NOUN
easat-10874	123	39	)	)	PUNCT
easat-10874	123	40	h	h	NOUN
easat-10874	123	41	-	-	PUNCT
easat-10874	123	42	donor	donor	NOUN
easat-10874	123	43	hdonor	hdonor	PROPN
easat-10874	123	44	hdonor	hdonor	PROPN
easat-10874	123	45	hacceptor	hacceptor	PROPN
easat-10874	123	46	h	h	PROPN
easat-10874	123	47	-	-	PUNCT
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easat-10874	123	49	hacceptor	hacceptor	NOUN
easat-10874	123	50	h	h	NOUN
easat-10874	123	51	-	-	PUNCT
easat-10874	123	52	acceptor	acceptor	NOUN
easat-10874	123	53	h	h	NOUN
easat-10874	123	54	-	-	NOUN
easat-10874	123	55	acceptor	acceptor	NOUN
easat-10874	123	56	3.38	3.38	NUM
easat-10874	123	57	3.30	3.30	NUM
easat-10874	123	58	2.90	2.90	NUM
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easat-10874	123	60	3.11	3.11	NUM
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easat-10874	123	71	-3.4	-3.4	NOUN
easat-10874	123	72	7	7	NUM
easat-10874	123	73	n	n	NUM
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easat-10874	123	75	n	n	NUM
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easat-10874	123	77	n	n	NUM
easat-10874	123	78	39	39	NUM
easat-10874	123	79	o	o	NOUN
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easat-10874	123	81	o	o	NOUN
easat-10874	123	82	12	12	NUM
easat-10874	123	83	o	o	NOUN
easat-10874	123	84	gly	gly	NOUN
easat-10874	123	85	113	113	NUM
easat-10874	123	86	(	(	PUNCT
easat-10874	123	87	a	a	NOUN
easat-10874	123	88	)	)	PUNCT
easat-10874	123	89	o	o	NOUN
easat-10874	123	90	glu	glu	NOUN
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easat-10874	123	92	(	(	PUNCT
easat-10874	123	93	a	a	X
easat-10874	123	94	)	)	PUNCT
easat-10874	123	95	o	o	NOUN
easat-10874	123	96	ala	ala	PROPN
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easat-10874	123	99	a	a	NOUN
easat-10874	123	100	)	)	PUNCT
easat-10874	123	101	n	n	NOUN
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easat-10874	123	104	(	(	PUNCT
easat-10874	123	105	a	a	NOUN
easat-10874	123	106	)	)	PUNCT
easat-10874	123	107	n	n	CCONJ
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easat-10874	123	110	(	(	PUNCT
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easat-10874	123	112	)	)	PUNCT
easat-10874	123	113	h	h	NOUN
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easat-10874	123	116	hdonor	hdonor	NOUN
easat-10874	123	117	hdonor	hdonor	PROPN
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easat-10874	123	121	hacceptor	hacceptor	NOUN
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easat-10874	123	144	(	(	PUNCT
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easat-10874	123	146	)	)	PUNCT
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easat-10874	123	152	)	)	PUNCT
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easat-10874	123	154	glu	glu	NOUN
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easat-10874	123	156	(	(	PUNCT
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easat-10874	123	164	)	)	PUNCT
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easat-10874	123	168	h	h	NOUN
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easat-10874	123	174	h	h	NOUN
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easat-10874	123	193	(	(	PUNCT
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easat-10874	124	9	o	o	NOUN
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easat-10874	124	20	)	)	PUNCT
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easat-10874	124	45	)	)	PUNCT
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easat-10874	127	9	issn	issn	PROPN
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easat-10874	127	12	-	-	SYM
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easat-10874	128	15	-	-	SYM
easat-10874	128	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
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easat-10874	129	2	2025	2025	NUM
easat-10874	129	3	by	by	ADP
easat-10874	129	4	the	the	DET
easat-10874	129	5	authors	author	NOUN
easat-10874	129	6	;	;	PUNCT
easat-10874	129	7	licensee	licensee	PROPN
easat-10874	129	8	learning	learning	NOUN
easat-10874	129	9	gate	gate	NOUN
easat-10874	129	10	3	3	NUM
easat-10874	129	11	4	4	NUM
easat-10874	129	12	379	379	NUM
easat-10874	129	13	edelweiss	edelweiss	PROPN
easat-10874	129	14	applied	apply	VERB
easat-10874	129	15	science	science	NOUN
easat-10874	129	16	and	and	CCONJ
easat-10874	129	17	technology	technology	NOUN
easat-10874	129	18	issn	issn	PROPN
easat-10874	129	19	:	:	PUNCT
easat-10874	129	20	2576	2576	NUM
easat-10874	129	21	-	-	SYM
easat-10874	129	22	8484	8484	NUM
easat-10874	129	23	vol	vol	NOUN
easat-10874	129	24	.	.	PROPN
easat-10874	130	1	9	9	NUM
easat-10874	130	2	,	,	PUNCT
easat-10874	130	3	no	no	INTJ
easat-10874	130	4	.	.	NOUN
easat-10874	130	5	11	11	NUM
easat-10874	130	6	:	:	PUNCT
easat-10874	130	7	360	360	NUM
easat-10874	130	8	-	-	SYM
easat-10874	130	9	386	386	NUM
easat-10874	130	10	,	,	PUNCT
easat-10874	130	11	2025	2025	NUM
easat-10874	130	12	doi	doi	NOUN
easat-10874	130	13	:	:	PUNCT
easat-10874	130	14	10.55214/2576	10.55214/2576	NUM
easat-10874	130	15	-	-	SYM
easat-10874	130	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	131	1	©	©	ADP
easat-10874	131	2	2025	2025	NUM
easat-10874	131	3	by	by	ADP
easat-10874	131	4	the	the	DET
easat-10874	131	5	authors	author	NOUN
easat-10874	131	6	;	;	PUNCT
easat-10874	131	7	licensee	licensee	PROPN
easat-10874	131	8	learning	learning	NOUN
easat-10874	131	9	gate	gate	NOUN
easat-10874	131	10	5	5	NUM
easat-10874	131	11	6	6	NUM
easat-10874	131	12	380	380	NUM
easat-10874	131	13	edelweiss	edelweiss	PROPN
easat-10874	131	14	applied	apply	VERB
easat-10874	131	15	science	science	NOUN
easat-10874	131	16	and	and	CCONJ
easat-10874	131	17	technology	technology	NOUN
easat-10874	131	18	issn	issn	PROPN
easat-10874	131	19	:	:	PUNCT
easat-10874	131	20	2576	2576	NUM
easat-10874	131	21	-	-	SYM
easat-10874	131	22	8484	8484	NUM
easat-10874	131	23	vol	vol	NOUN
easat-10874	131	24	.	.	PROPN
easat-10874	132	1	9	9	NUM
easat-10874	132	2	,	,	PUNCT
easat-10874	132	3	no	no	INTJ
easat-10874	132	4	.	.	NOUN
easat-10874	132	5	11	11	NUM
easat-10874	132	6	:	:	PUNCT
easat-10874	132	7	360	360	NUM
easat-10874	132	8	-	-	SYM
easat-10874	132	9	386	386	NUM
easat-10874	132	10	,	,	PUNCT
easat-10874	132	11	2025	2025	NUM
easat-10874	132	12	doi	doi	NOUN
easat-10874	132	13	:	:	PUNCT
easat-10874	132	14	10.55214/2576	10.55214/2576	NUM
easat-10874	132	15	-	-	SYM
easat-10874	132	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	133	1	©	©	ADP
easat-10874	133	2	2025	2025	NUM
easat-10874	133	3	by	by	ADP
easat-10874	133	4	the	the	DET
easat-10874	133	5	authors	author	NOUN
easat-10874	133	6	;	;	PUNCT
easat-10874	133	7	licensee	licensee	PROPN
easat-10874	133	8	learning	learning	NOUN
easat-10874	133	9	gate	gate	VERB
easat-10874	133	10	7	7	NUM
easat-10874	133	11	8	8	NUM
easat-10874	133	12	381	381	NUM
easat-10874	133	13	edelweiss	edelweiss	PROPN
easat-10874	133	14	applied	apply	VERB
easat-10874	133	15	science	science	NOUN
easat-10874	133	16	and	and	CCONJ
easat-10874	133	17	technology	technology	NOUN
easat-10874	133	18	issn	issn	PROPN
easat-10874	133	19	:	:	PUNCT
easat-10874	133	20	2576	2576	NUM
easat-10874	133	21	-	-	SYM
easat-10874	133	22	8484	8484	NUM
easat-10874	133	23	vol	vol	NOUN
easat-10874	133	24	.	.	PROPN
easat-10874	134	1	9	9	NUM
easat-10874	134	2	,	,	PUNCT
easat-10874	134	3	no	no	INTJ
easat-10874	134	4	.	.	NOUN
easat-10874	134	5	11	11	NUM
easat-10874	134	6	:	:	PUNCT
easat-10874	134	7	360	360	NUM
easat-10874	134	8	-	-	SYM
easat-10874	134	9	386	386	NUM
easat-10874	134	10	,	,	PUNCT
easat-10874	134	11	2025	2025	NUM
easat-10874	134	12	doi	doi	NOUN
easat-10874	134	13	:	:	PUNCT
easat-10874	134	14	10.55214/2576	10.55214/2576	NUM
easat-10874	134	15	-	-	SYM
easat-10874	134	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	135	1	©	©	ADP
easat-10874	135	2	2025	2025	NUM
easat-10874	135	3	by	by	ADP
easat-10874	135	4	the	the	DET
easat-10874	135	5	authors	author	NOUN
easat-10874	135	6	;	;	PUNCT
easat-10874	135	7	licensee	licensee	PROPN
easat-10874	135	8	learning	learning	NOUN
easat-10874	135	9	gate	gate	NOUN
easat-10874	135	10	9	9	NUM
easat-10874	135	11	1	1	NUM
easat-10874	135	12	0	0	NUM
easat-10874	135	13	382	382	NUM
easat-10874	135	14	edelweiss	edelweiss	PROPN
easat-10874	135	15	applied	apply	VERB
easat-10874	135	16	science	science	NOUN
easat-10874	135	17	and	and	CCONJ
easat-10874	135	18	technology	technology	NOUN
easat-10874	135	19	issn	issn	PROPN
easat-10874	135	20	:	:	PUNCT
easat-10874	135	21	2576	2576	NUM
easat-10874	135	22	-	-	SYM
easat-10874	135	23	8484	8484	NUM
easat-10874	135	24	vol	vol	NOUN
easat-10874	135	25	.	.	PROPN
easat-10874	136	1	9	9	NUM
easat-10874	136	2	,	,	PUNCT
easat-10874	136	3	no	no	INTJ
easat-10874	136	4	.	.	NOUN
easat-10874	136	5	11	11	NUM
easat-10874	136	6	:	:	PUNCT
easat-10874	136	7	360	360	NUM
easat-10874	136	8	-	-	SYM
easat-10874	136	9	386	386	NUM
easat-10874	136	10	,	,	PUNCT
easat-10874	136	11	2025	2025	NUM
easat-10874	136	12	doi	doi	NOUN
easat-10874	136	13	:	:	PUNCT
easat-10874	136	14	10.55214/2576	10.55214/2576	NUM
easat-10874	136	15	-	-	SYM
easat-10874	136	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	137	1	©	©	ADP
easat-10874	137	2	2025	2025	NUM
easat-10874	137	3	by	by	ADP
easat-10874	137	4	the	the	DET
easat-10874	137	5	authors	author	NOUN
easat-10874	137	6	;	;	PUNCT
easat-10874	137	7	licensee	licensee	PROPN
easat-10874	137	8	learning	learning	NOUN
easat-10874	137	9	gate	gate	NOUN
easat-10874	137	10	1	1	NUM
easat-10874	137	11	1	1	NUM
easat-10874	137	12	3.3	3.3	NUM
easat-10874	137	13	.	.	PUNCT
easat-10874	138	1	binding	bind	VERB
easat-10874	138	2	affinity	affinity	NOUN
easat-10874	138	3	prediction	prediction	NOUN
easat-10874	138	4	evaluation	evaluation	NOUN
easat-10874	138	5	the	the	DET
easat-10874	138	6	decision	decision	NOUN
easat-10874	138	7	tree	tree	NOUN
easat-10874	138	8	regressor	regressor	NOUN
easat-10874	138	9	trained	train	VERB
easat-10874	138	10	using	use	VERB
easat-10874	138	11	ehomo	ehomo	NOUN
easat-10874	138	12	,	,	PUNCT
easat-10874	138	13	elumo	elumo	ADJ
easat-10874	138	14	,	,	PUNCT
easat-10874	138	15	and	and	CCONJ
easat-10874	138	16	δe	δe	PRON
easat-10874	138	17	effectively	effectively	ADV
easat-10874	138	18	developed	develop	VERB
easat-10874	138	19	a	a	DET
easat-10874	138	20	predictive	predictive	ADJ
easat-10874	138	21	model	model	NOUN
easat-10874	138	22	for	for	ADP
easat-10874	138	23	binding	bind	VERB
easat-10874	138	24	affinity	affinity	NOUN
easat-10874	138	25	against	against	ADP
easat-10874	138	26	the	the	DET
easat-10874	138	27	examined	examine	VERB
easat-10874	138	28	bacterial	bacterial	ADJ
easat-10874	138	29	targets	target	NOUN
easat-10874	138	30	.	.	PUNCT
easat-10874	139	1	the	the	DET
easat-10874	139	2	enhanced	enhanced	ADJ
easat-10874	139	3	model	model	NOUN
easat-10874	139	4	,	,	PUNCT
easat-10874	139	5	discovered	discover	VERB
easat-10874	139	6	through	through	ADP
easat-10874	139	7	grid	grid	NOUN
easat-10874	139	8	search	search	NOUN
easat-10874	139	9	with	with	ADP
easat-10874	139	10	leave	leave	NOUN
easat-10874	139	11	-	-	PUNCT
easat-10874	139	12	one	one	NUM
easat-10874	139	13	-	-	PUNCT
easat-10874	139	14	out	out	ADP
easat-10874	139	15	cross	cross	NOUN
easat-10874	139	16	-	-	ADJ
easat-10874	139	17	validation	validation	ADJ
easat-10874	139	18	(	(	PUNCT
easat-10874	139	19	loocv	loocv	NOUN
easat-10874	139	20	)	)	PUNCT
easat-10874	139	21	,	,	PUNCT
easat-10874	139	22	produced	produce	VERB
easat-10874	139	23	a	a	DET
easat-10874	139	24	mean	mean	ADJ
easat-10874	139	25	absolute	absolute	ADJ
easat-10874	139	26	error	error	NOUN
easat-10874	139	27	(	(	PUNCT
easat-10874	139	28	mae	mae	PROPN
easat-10874	139	29	)	)	PUNCT
easat-10874	139	30	of	of	ADP
easat-10874	139	31	0.53	0.53	NUM
easat-10874	139	32	kcal	kcal	NOUN
easat-10874	139	33	/	/	SYM
easat-10874	139	34	mol	mol	PROPN
easat-10874	139	35	and	and	CCONJ
easat-10874	139	36	a	a	DET
easat-10874	139	37	coefficient	coefficient	NOUN
easat-10874	139	38	of	of	ADP
easat-10874	139	39	determination	determination	NOUN
easat-10874	139	40	(	(	PUNCT
easat-10874	139	41	r²	r²	NOUN
easat-10874	139	42	)	)	PUNCT
easat-10874	139	43	of	of	ADP
easat-10874	139	44	–	–	PUNCT
easat-10874	139	45	0.86	0.86	NUM
easat-10874	139	46	.	.	PUNCT
easat-10874	140	1	despite	despite	SCONJ
easat-10874	140	2	the	the	DET
easat-10874	140	3	negative	negative	ADJ
easat-10874	140	4	r²	r²	NOUN
easat-10874	140	5	value	value	NOUN
easat-10874	140	6	,	,	PUNCT
easat-10874	140	7	which	which	PRON
easat-10874	140	8	reflects	reflect	VERB
easat-10874	140	9	the	the	DET
easat-10874	140	10	limited	limited	ADJ
easat-10874	140	11	dataset	dataset	NOUN
easat-10874	140	12	size	size	NOUN
easat-10874	140	13	(	(	PUNCT
easat-10874	140	14	n	n	NOUN
easat-10874	140	15	=	=	NUM
easat-10874	140	16	11	11	NUM
easat-10874	140	17	)	)	PUNCT
easat-10874	140	18	and	and	CCONJ
easat-10874	140	19	the	the	DET
easat-10874	140	20	model	model	NOUN
easat-10874	140	21	's	's	PART
easat-10874	140	22	restricted	restricted	ADJ
easat-10874	140	23	generalizability	generalizability	NOUN
easat-10874	140	24	,	,	PUNCT
easat-10874	140	25	the	the	DET
easat-10874	140	26	decision	decision	NOUN
easat-10874	140	27	tree	tree	NOUN
easat-10874	140	28	offered	offer	VERB
easat-10874	140	29	significant	significant	ADJ
easat-10874	140	30	insights	insight	NOUN
easat-10874	140	31	into	into	ADP
easat-10874	140	32	structure	structure	NOUN
easat-10874	140	33	–	–	PUNCT
easat-10874	140	34	activity	activity	NOUN
easat-10874	140	35	relationships	relationship	NOUN
easat-10874	140	36	(	(	PUNCT
easat-10874	140	37	sar	sar	NOUN
easat-10874	140	38	)	)	PUNCT
easat-10874	140	39	(	(	PUNCT
easat-10874	140	40	figure	figure	NOUN
easat-10874	140	41	3	3	NUM
easat-10874	140	42	)	)	PUNCT
easat-10874	140	43	.	.	PUNCT
easat-10874	141	1	3.4	3.4	NUM
easat-10874	141	2	.	.	PUNCT
easat-10874	141	3	significant	significant	ADJ
easat-10874	141	4	descriptor	descriptor	NOUN
easat-10874	141	5	examination	examination	NOUN
easat-10874	141	6	an	an	DET
easat-10874	141	7	examination	examination	NOUN
easat-10874	141	8	of	of	ADP
easat-10874	141	9	feature	feature	NOUN
easat-10874	141	10	importance	importance	NOUN
easat-10874	141	11	derived	derive	VERB
easat-10874	141	12	from	from	ADP
easat-10874	141	13	the	the	DET
easat-10874	141	14	model	model	NOUN
easat-10874	141	15	indicated	indicate	VERB
easat-10874	141	16	that	that	SCONJ
easat-10874	141	17	the	the	DET
easat-10874	141	18	energy	energy	NOUN
easat-10874	141	19	gap	gap	NOUN
easat-10874	141	20	(	(	PUNCT
easat-10874	141	21	δe	δe	NOUN
easat-10874	141	22	)	)	PUNCT
easat-10874	141	23	was	be	AUX
easat-10874	141	24	the	the	DET
easat-10874	141	25	primary	primary	ADJ
easat-10874	141	26	descriptor	descriptor	NOUN
easat-10874	141	27	,	,	PUNCT
easat-10874	141	28	accounting	account	VERB
easat-10874	141	29	for	for	ADP
easat-10874	141	30	roughly	roughly	ADV
easat-10874	141	31	60	60	NUM
easat-10874	141	32	%	%	NOUN
easat-10874	141	33	of	of	ADP
easat-10874	141	34	the	the	DET
easat-10874	141	35	predictive	predictive	ADJ
easat-10874	141	36	effectiveness	effectiveness	NOUN
easat-10874	141	37	.	.	PUNCT
easat-10874	142	1	this	this	DET
easat-10874	142	2	observation	observation	NOUN
easat-10874	142	3	is	be	AUX
easat-10874	142	4	consistent	consistent	ADJ
easat-10874	142	5	with	with	ADP
easat-10874	142	6	established	establish	VERB
easat-10874	142	7	quantum	quantum	ADJ
easat-10874	142	8	chemical	chemical	NOUN
easat-10874	142	9	principles	principle	NOUN
easat-10874	142	10	,	,	PUNCT
easat-10874	142	11	which	which	PRON
easat-10874	142	12	suggest	suggest	VERB
easat-10874	142	13	that	that	SCONJ
easat-10874	142	14	a	a	DET
easat-10874	142	15	smaller	small	ADJ
easat-10874	142	16	energy	energy	NOUN
easat-10874	142	17	gap	gap	NOUN
easat-10874	142	18	is	be	AUX
easat-10874	142	19	typically	typically	ADV
easat-10874	142	20	associated	associate	VERB
easat-10874	142	21	with	with	ADP
easat-10874	142	22	heightened	heightened	ADJ
easat-10874	142	23	reactivity	reactivity	NOUN
easat-10874	142	24	and	and	CCONJ
easat-10874	142	25	enhanced	enhance	VERB
easat-10874	142	26	binding	binding	ADJ
easat-10874	142	27	interactions	interaction	NOUN
easat-10874	142	28	.	.	PUNCT
easat-10874	143	1	elumo	elumo	PROPN
easat-10874	143	2	represented	represent	VERB
easat-10874	143	3	around	around	ADP
easat-10874	143	4	34	34	NUM
easat-10874	143	5	%	%	NOUN
easat-10874	143	6	of	of	ADP
easat-10874	143	7	the	the	DET
easat-10874	143	8	influence	influence	NOUN
easat-10874	143	9	,	,	PUNCT
easat-10874	143	10	highlighting	highlight	VERB
easat-10874	143	11	the	the	DET
easat-10874	143	12	importance	importance	NOUN
easat-10874	143	13	of	of	ADP
easat-10874	143	14	electron	electron	NOUN
easat-10874	143	15	-	-	PUNCT
easat-10874	143	16	accepting	accept	VERB
easat-10874	143	17	ability	ability	NOUN
easat-10874	143	18	in	in	ADP
easat-10874	143	19	the	the	DET
easat-10874	143	20	affinity	affinity	NOUN
easat-10874	143	21	between	between	ADP
easat-10874	143	22	ligands	ligand	NOUN
easat-10874	143	23	and	and	CCONJ
easat-10874	143	24	targets	target	NOUN
easat-10874	143	25	,	,	PUNCT
easat-10874	143	26	especially	especially	ADV
easat-10874	143	27	in	in	ADP
easat-10874	143	28	peptide	peptide	NOUN
easat-10874	143	29	-	-	PUNCT
easat-10874	143	30	enzyme	enzyme	NOUN
easat-10874	143	31	interactions	interaction	NOUN
easat-10874	143	32	.	.	PUNCT
easat-10874	144	1	ehomo	ehomo	NOUN
easat-10874	144	2	had	have	VERB
easat-10874	144	3	the	the	DET
easat-10874	144	4	least	least	ADJ
easat-10874	144	5	impact	impact	NOUN
easat-10874	144	6	(	(	PUNCT
easat-10874	144	7	approximately	approximately	ADV
easat-10874	144	8	6	6	NUM
easat-10874	144	9	%	%	NOUN
easat-10874	144	10	)	)	PUNCT
easat-10874	144	11	,	,	PUNCT
easat-10874	144	12	indicating	indicate	VERB
easat-10874	144	13	that	that	SCONJ
easat-10874	144	14	the	the	DET
easat-10874	144	15	capability	capability	NOUN
easat-10874	144	16	to	to	PART
easat-10874	144	17	donate	donate	VERB
easat-10874	144	18	electrons	electron	NOUN
easat-10874	144	19	was	be	AUX
easat-10874	144	20	less	less	ADV
easat-10874	144	21	directly	directly	ADV
easat-10874	144	22	tied	tie	VERB
easat-10874	144	23	to	to	ADP
easat-10874	144	24	the	the	DET
easat-10874	144	25	docking	docking	NOUN
easat-10874	144	26	scores	score	NOUN
easat-10874	144	27	observed	observe	VERB
easat-10874	144	28	in	in	ADP
easat-10874	144	29	this	this	DET
easat-10874	144	30	particular	particular	ADJ
easat-10874	144	31	dataset	dataset	NOUN
easat-10874	144	32	.	.	PUNCT
easat-10874	145	1	significantly	significantly	ADV
easat-10874	145	2	,	,	PUNCT
easat-10874	145	3	compounds	compound	VERB
easat-10874	145	4	demonstrating	demonstrate	VERB
easat-10874	145	5	strong	strong	ADJ
easat-10874	145	6	binding	binding	ADJ
easat-10874	145	7	affinity	affinity	NOUN
easat-10874	145	8	,	,	PUNCT
easat-10874	145	9	compound	compound	NOUN
easat-10874	145	10	9	9	NUM
easat-10874	145	11	(	(	PUNCT
easat-10874	145	12	−8.63	−8.63	NOUN
easat-10874	145	13	kcal	kcal	PROPN
easat-10874	145	14	/	/	SYM
easat-10874	145	15	mol	mol	NOUN
easat-10874	145	16	)	)	PUNCT
easat-10874	145	17	for	for	ADP
easat-10874	145	18	gram	gram	NOUN
easat-10874	145	19	-	-	PUNCT
easat-10874	145	20	positive	positive	ADJ
easat-10874	145	21	4hlc	4hlc	NOUN
easat-10874	145	22	and	and	CCONJ
easat-10874	145	23	compound	compound	VERB
easat-10874	145	24	5	5	NUM
easat-10874	145	25	(	(	PUNCT
easat-10874	145	26	−8.89	−8.89	NOUN
easat-10874	145	27	kcal	kcal	NOUN
easat-10874	145	28	/	/	SYM
easat-10874	145	29	mol	mol	NOUN
easat-10874	145	30	)	)	PUNCT
easat-10874	145	31	for	for	ADP
easat-10874	145	32	gram	gram	NOUN
easat-10874	145	33	-	-	PUNCT
easat-10874	145	34	negative	negative	ADJ
easat-10874	145	35	1kij	1kij	PROPN
easat-10874	145	36	,	,	PUNCT
easat-10874	145	37	showed	show	VERB
easat-10874	145	38	advantageous	advantageous	ADJ
easat-10874	145	39	δe	δe	ADP
easat-10874	145	40	values	value	NOUN
easat-10874	145	41	alongside	alongside	ADP
easat-10874	145	42	well	well	ADV
easat-10874	145	43	-	-	PUNCT
easat-10874	145	44	balanced	balance	VERB
easat-10874	145	45	homo	homo	NOUN
easat-10874	145	46	/	/	SYM
easat-10874	145	47	lumo	lumo	NOUN
easat-10874	145	48	energies	energy	NOUN
easat-10874	145	49	.	.	PUNCT
easat-10874	146	1	this	this	DET
easat-10874	146	2	alignment	alignment	NOUN
easat-10874	146	3	between	between	ADP
easat-10874	146	4	docking	dock	VERB
easat-10874	146	5	outcomes	outcome	NOUN
easat-10874	146	6	and	and	CCONJ
easat-10874	146	7	feature	feature	VERB
easat-10874	146	8	importance	importance	NOUN
easat-10874	146	9	derived	derive	VERB
easat-10874	146	10	from	from	ADP
easat-10874	146	11	machine	machine	NOUN
easat-10874	146	12	learning	learning	NOUN
easat-10874	146	13	enhances	enhance	VERB
easat-10874	146	14	the	the	DET
easat-10874	146	15	credibility	credibility	NOUN
easat-10874	146	16	of	of	ADP
easat-10874	146	17	the	the	DET
easat-10874	146	18	sar	sar	PROPN
easat-10874	146	19	analysis	analysis	NOUN
easat-10874	146	20	(	(	PUNCT
easat-10874	146	21	figures	figure	NOUN
easat-10874	146	22	4	4	NUM
easat-10874	146	23	,	,	PUNCT
easat-10874	146	24	5	5	NUM
easat-10874	146	25	;	;	PUNCT
easat-10874	146	26	table	table	NOUN
easat-10874	146	27	8)	8)	NUM
easat-10874	146	28	.	.	NOUN
easat-10874	146	29	383	383	NUM
easat-10874	146	30	edelweiss	edelweiss	PROPN
easat-10874	146	31	applied	apply	VERB
easat-10874	146	32	science	science	NOUN
easat-10874	146	33	and	and	CCONJ
easat-10874	146	34	technology	technology	NOUN
easat-10874	146	35	issn	issn	PROPN
easat-10874	146	36	:	:	PUNCT
easat-10874	146	37	2576	2576	NUM
easat-10874	146	38	-	-	SYM
easat-10874	146	39	8484	8484	NUM
easat-10874	146	40	vol	vol	NOUN
easat-10874	146	41	.	.	PROPN
easat-10874	147	1	9	9	NUM
easat-10874	147	2	,	,	PUNCT
easat-10874	147	3	no	no	INTJ
easat-10874	147	4	.	.	NOUN
easat-10874	147	5	11	11	NUM
easat-10874	147	6	:	:	PUNCT
easat-10874	147	7	360	360	NUM
easat-10874	147	8	-	-	SYM
easat-10874	147	9	386	386	NUM
easat-10874	147	10	,	,	PUNCT
easat-10874	147	11	2025	2025	NUM
easat-10874	147	12	doi	doi	NOUN
easat-10874	147	13	:	:	PUNCT
easat-10874	147	14	10.55214/2576	10.55214/2576	NUM
easat-10874	147	15	-	-	SYM
easat-10874	147	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	148	1	©	©	ADP
easat-10874	148	2	2025	2025	NUM
easat-10874	148	3	by	by	ADP
easat-10874	148	4	the	the	DET
easat-10874	148	5	authors	author	NOUN
easat-10874	148	6	;	;	PUNCT
easat-10874	148	7	licensee	licensee	PROPN
easat-10874	148	8	learning	learn	VERB
easat-10874	148	9	gate	gate	PROPN
easat-10874	148	10	figure	figure	NOUN
easat-10874	148	11	3	3	NUM
easat-10874	148	12	.	.	PUNCT
easat-10874	148	13	decision	decision	NOUN
easat-10874	148	14	tree	tree	NOUN
easat-10874	148	15	structure	structure	NOUN
easat-10874	148	16	.	.	PUNCT
easat-10874	149	1	table	table	NOUN
easat-10874	149	2	8	8	NUM
easat-10874	149	3	.	.	PUNCT
easat-10874	150	1	loocv	loocv	ADJ
easat-10874	150	2	predictions	prediction	NOUN
easat-10874	150	3	and	and	CCONJ
easat-10874	150	4	errors	error	NOUN
easat-10874	150	5	sample	sample	NOUN
easat-10874	150	6	ehomo	ehomo	NOUN
easat-10874	150	7	(	(	PUNCT
easat-10874	150	8	ev	ev	INTJ
easat-10874	150	9	)	)	PUNCT
easat-10874	150	10	elumo	elumo	NOUN
easat-10874	150	11	(	(	PUNCT
easat-10874	150	12	ev	ev	NOUN
easat-10874	150	13	)	)	PUNCT
easat-10874	150	14	energy	energy	NOUN
easat-10874	150	15	gap	gap	NOUN
easat-10874	150	16	(	(	PUNCT
easat-10874	150	17	ev	ev	NOUN
easat-10874	150	18	)	)	PUNCT
easat-10874	150	19	binding	bind	VERB
easat-10874	150	20	(	(	PUNCT
easat-10874	150	21	kcal	kcal	PROPN
easat-10874	150	22	/	/	SYM
easat-10874	150	23	mol	mol	NOUN
easat-10874	150	24	)	)	PUNCT
easat-10874	150	25	predicted	predict	VERB
easat-10874	150	26	binding	bind	VERB
easat-10874	150	27	cv	cv	PROPN
easat-10874	150	28	absolute	absolute	ADJ
easat-10874	150	29	error	error	NOUN
easat-10874	150	30	1	1	NUM
easat-10874	150	31	-5.48	-5.48	NUM
easat-10874	150	32	-0.76	-0.76	PROPN
easat-10874	150	33	4.72	4.72	NUM
easat-10874	150	34	-8.49	-8.49	NUM
easat-10874	150	35	-8.61	-8.61	NUM
easat-10874	150	36	0.12	0.12	NUM
easat-10874	150	37	2	2	NUM
easat-10874	150	38	-6.05	-6.05	NOUN
easat-10874	150	39	-0.83	-0.83	NUM
easat-10874	150	40	5.22	5.22	NUM
easat-10874	150	41	-7.44	-7.44	NUM
easat-10874	150	42	-7.58	-7.58	NUM
easat-10874	150	43	0.14	0.14	NUM
easat-10874	150	44	3	3	NUM
easat-10874	150	45	-5.18	-5.18	DET
easat-10874	150	46	-0.91	-0.91	NOUN
easat-10874	150	47	4.27	4.27	NUM
easat-10874	150	48	-7.28	-7.28	NOUN
easat-10874	150	49	-8.51	-8.51	NOUN
easat-10874	150	50	1.23	1.23	NUM
easat-10874	150	51	4	4	NUM
easat-10874	150	52	-5.18	-5.18	NOUN
easat-10874	150	53	-0.79	-0.79	NOUN
easat-10874	150	54	4.39	4.39	NUM
easat-10874	150	55	-8.51	-8.51	NUM
easat-10874	150	56	-7.28	-7.28	SYM
easat-10874	150	57	1.23	1.23	NUM
easat-10874	150	58	5	5	NUM
easat-10874	150	59	-5.97	-5.97	NOUN
easat-10874	150	60	-1	-1	ADP
easat-10874	150	61	4.97	4.97	NUM
easat-10874	150	62	-8.23	-8.23	NUM
easat-10874	150	63	-7.47	-7.47	NUM
easat-10874	150	64	0.76	0.76	NUM
easat-10874	150	65	6	6	NUM
easat-10874	150	66	-5.87	-5.87	PROPN
easat-10874	150	67	-0.77	-0.77	PROPN
easat-10874	150	68	5.1	5.1	NUM
easat-10874	150	69	-7.94	-7.94	NUM
easat-10874	150	70	-7.58	-7.58	NOUN
easat-10874	150	71	0.36	0.36	NUM
easat-10874	150	72	7	7	NUM
easat-10874	150	73	-5.87	-5.87	ADP
easat-10874	150	74	-0.85	-0.85	NUM
easat-10874	150	75	5.02	5.02	NUM
easat-10874	150	76	-8.61	-8.61	NOUN
easat-10874	150	77	-8.63	-8.63	NUM
easat-10874	150	78	0.02	0.02	NUM
easat-10874	150	79	8	8	NUM
easat-10874	150	80	-5.87	-5.87	NOUN
easat-10874	150	81	-0.74	-0.74	NUM
easat-10874	150	82	5.13	5.13	NUM
easat-10874	150	83	-7.58	-7.58	X
easat-10874	150	84	-7.94	-7.94	NOUN
easat-10874	150	85	0.36	0.36	NUM
easat-10874	150	86	9	9	NUM
easat-10874	150	87	-5.94	-5.94	NUM
easat-10874	150	88	-0.93	-0.93	NUM
easat-10874	150	89	5.01	5.01	NUM
easat-10874	150	90	-8.63	-8.63	NUM
easat-10874	150	91	-8.23	-8.23	NUM
easat-10874	150	92	0.4	0.4	NUM
easat-10874	150	93	10	10	NUM
easat-10874	150	94	-5.89	-5.89	NUM
easat-10874	150	95	-1.04	-1.04	NUM
easat-10874	150	96	4.85	4.85	NUM
easat-10874	150	97	-7.47	-7.47	NUM
easat-10874	150	98	-8.23	-8.23	NUM
easat-10874	150	99	0.76	0.76	NUM
easat-10874	150	100	11	11	NUM
easat-10874	150	101	-5.57	-5.57	ADP
easat-10874	150	102	-0.43	-0.43	NUM
easat-10874	150	103	5.14	5.14	NUM
easat-10874	150	104	-8.06	-8.06	X
easat-10874	150	105	-7.58	-7.58	NUM
easat-10874	150	106	0.48	0.48	NUM
easat-10874	150	107	384	384	NUM
easat-10874	150	108	edelweiss	edelweiss	PROPN
easat-10874	150	109	applied	apply	VERB
easat-10874	150	110	science	science	NOUN
easat-10874	150	111	and	and	CCONJ
easat-10874	150	112	technology	technology	NOUN
easat-10874	150	113	issn	issn	PROPN
easat-10874	150	114	:	:	PUNCT
easat-10874	150	115	2576	2576	NUM
easat-10874	150	116	-	-	SYM
easat-10874	150	117	8484	8484	NUM
easat-10874	150	118	vol	vol	NOUN
easat-10874	150	119	.	.	PROPN
easat-10874	151	1	9	9	NUM
easat-10874	151	2	,	,	PUNCT
easat-10874	151	3	no	no	INTJ
easat-10874	151	4	.	.	NOUN
easat-10874	151	5	11	11	NUM
easat-10874	151	6	:	:	PUNCT
easat-10874	151	7	360	360	NUM
easat-10874	151	8	-	-	SYM
easat-10874	151	9	386	386	NUM
easat-10874	151	10	,	,	PUNCT
easat-10874	151	11	2025	2025	NUM
easat-10874	151	12	doi	doi	NOUN
easat-10874	151	13	:	:	PUNCT
easat-10874	151	14	10.55214/2576	10.55214/2576	NUM
easat-10874	151	15	-	-	SYM
easat-10874	151	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	152	1	©	©	ADP
easat-10874	152	2	2025	2025	NUM
easat-10874	152	3	by	by	ADP
easat-10874	152	4	the	the	DET
easat-10874	152	5	authors	author	NOUN
easat-10874	152	6	;	;	PUNCT
easat-10874	152	7	licensee	licensee	PROPN
easat-10874	152	8	learning	learn	VERB
easat-10874	152	9	gate	gate	NOUN
easat-10874	152	10	figure	figure	NOUN
easat-10874	152	11	4	4	NUM
easat-10874	152	12	.	.	PUNCT
easat-10874	152	13	actual	actual	ADJ
easat-10874	152	14	vs	vs	ADP
easat-10874	152	15	predicted	predict	VERB
easat-10874	152	16	(	(	PUNCT
easat-10874	152	17	decision	decision	NOUN
easat-10874	152	18	tree	tree	NOUN
easat-10874	152	19	,	,	PUNCT
easat-10874	152	20	loocv	loocv	NOUN
easat-10874	152	21	)	)	PUNCT
easat-10874	152	22	.	.	PUNCT
easat-10874	153	1	figure	figure	NOUN
easat-10874	153	2	5	5	NUM
easat-10874	153	3	.	.	PUNCT
easat-10874	154	1	decision	decision	NOUN
easat-10874	154	2	tree	tree	NOUN
easat-10874	154	3	feature	feature	NOUN
easat-10874	154	4	importance	importance	NOUN
easat-10874	154	5	.	.	PUNCT
easat-10874	155	1	385	385	NUM
easat-10874	155	2	edelweiss	edelweiss	PROPN
easat-10874	155	3	applied	apply	VERB
easat-10874	155	4	science	science	NOUN
easat-10874	155	5	and	and	CCONJ
easat-10874	155	6	technology	technology	NOUN
easat-10874	155	7	issn	issn	PROPN
easat-10874	155	8	:	:	PUNCT
easat-10874	155	9	2576	2576	NUM
easat-10874	155	10	-	-	SYM
easat-10874	155	11	8484	8484	NUM
easat-10874	155	12	vol	vol	NOUN
easat-10874	155	13	.	.	PROPN
easat-10874	156	1	9	9	NUM
easat-10874	156	2	,	,	PUNCT
easat-10874	156	3	no	no	INTJ
easat-10874	156	4	.	.	NOUN
easat-10874	156	5	11	11	NUM
easat-10874	156	6	:	:	PUNCT
easat-10874	156	7	360	360	NUM
easat-10874	156	8	-	-	SYM
easat-10874	156	9	386	386	NUM
easat-10874	156	10	,	,	PUNCT
easat-10874	156	11	2025	2025	NUM
easat-10874	156	12	doi	doi	NOUN
easat-10874	156	13	:	:	PUNCT
easat-10874	156	14	10.55214/2576	10.55214/2576	NUM
easat-10874	156	15	-	-	SYM
easat-10874	156	16	8484.v9i11.10874	8484.v9i11.10874	NOUN
easat-10874	157	1	©	©	ADP
easat-10874	157	2	2025	2025	NUM
easat-10874	157	3	by	by	ADP
easat-10874	157	4	the	the	DET
easat-10874	157	5	authors	author	NOUN
easat-10874	157	6	;	;	PUNCT
easat-10874	157	7	licensee	licensee	PROPN
easat-10874	157	8	learning	learning	NOUN
easat-10874	157	9	gate	gate	NOUN
easat-10874	157	10	4	4	NUM
easat-10874	157	11	.	.	PUNCT
easat-10874	158	1	conclusions	conclusion	NOUN
easat-10874	158	2	in	in	ADP
easat-10874	158	3	this	this	DET
easat-10874	158	4	study	study	NOUN
easat-10874	158	5	,	,	PUNCT
easat-10874	158	6	arg	arg	PROPN
easat-10874	158	7	-	-	PUNCT
easat-10874	158	8	trp	trp	PROPN
easat-10874	158	9	-	-	PUNCT
easat-10874	158	10	arg	arg	NOUN
easat-10874	158	11	-	-	PUNCT
easat-10874	158	12	based	base	VERB
easat-10874	158	13	peptides	peptide	NOUN
easat-10874	158	14	were	be	AUX
easat-10874	158	15	analyzed	analyze	VERB
easat-10874	158	16	using	use	VERB
easat-10874	158	17	a	a	DET
easat-10874	158	18	computational	computational	ADJ
easat-10874	158	19	method	method	NOUN
easat-10874	158	20	.	.	PUNCT
easat-10874	159	1	the	the	DET
easat-10874	159	2	attributes	attribute	NOUN
easat-10874	159	3	derived	derive	VERB
easat-10874	159	4	from	from	ADP
easat-10874	159	5	the	the	DET
easat-10874	159	6	optimized	optimize	VERB
easat-10874	159	7	compounds	compound	NOUN
easat-10874	159	8	indicated	indicate	VERB
easat-10874	159	9	the	the	DET
easat-10874	159	10	reactivity	reactivity	NOUN
easat-10874	159	11	levels	level	NOUN
easat-10874	159	12	of	of	ADP
easat-10874	159	13	those	those	DET
easat-10874	159	14	compounds	compound	NOUN
easat-10874	159	15	.	.	PUNCT
easat-10874	160	1	compounds	compound	NOUN
easat-10874	160	2	3	3	NUM
easat-10874	160	3	and	and	CCONJ
easat-10874	160	4	4	4	NUM
easat-10874	160	5	displayed	display	VERB
easat-10874	160	6	a	a	DET
easat-10874	160	7	strong	strong	ADJ
easat-10874	160	8	tendency	tendency	NOUN
easat-10874	160	9	to	to	PART
easat-10874	160	10	react	react	VERB
easat-10874	160	11	in	in	ADP
easat-10874	160	12	terms	term	NOUN
easat-10874	160	13	of	of	ADP
easat-10874	160	14	homo	homo	NOUN
easat-10874	160	15	energy	energy	NOUN
easat-10874	160	16	,	,	PUNCT
easat-10874	160	17	while	while	SCONJ
easat-10874	160	18	compound	compound	NOUN
easat-10874	160	19	3	3	NUM
easat-10874	160	20	showed	show	VERB
easat-10874	160	21	a	a	DET
easat-10874	160	22	notable	notable	ADJ
easat-10874	160	23	propensity	propensity	NOUN
easat-10874	160	24	for	for	ADP
easat-10874	160	25	reaction	reaction	NOUN
easat-10874	160	26	concerning	concern	VERB
easat-10874	160	27	its	its	PRON
easat-10874	160	28	energy	energy	NOUN
easat-10874	160	29	gap	gap	NOUN
easat-10874	160	30	.	.	PUNCT
easat-10874	161	1	it	it	PRON
easat-10874	161	2	was	be	AUX
easat-10874	161	3	determined	determine	VERB
easat-10874	161	4	that	that	SCONJ
easat-10874	161	5	compound	compound	NOUN
easat-10874	161	6	10	10	NUM
easat-10874	161	7	,	,	PUNCT
easat-10874	161	8	which	which	PRON
easat-10874	161	9	had	have	VERB
easat-10874	161	10	the	the	DET
easat-10874	161	11	lowest	low	ADJ
easat-10874	161	12	lumo	lumo	NOUN
easat-10874	161	13	energy	energy	NOUN
easat-10874	161	14	value	value	NOUN
easat-10874	161	15	,	,	PUNCT
easat-10874	161	16	demonstrated	demonstrate	VERB
easat-10874	161	17	the	the	DET
easat-10874	161	18	greatest	great	ADJ
easat-10874	161	19	capacity	capacity	NOUN
easat-10874	161	20	to	to	PART
easat-10874	161	21	accept	accept	VERB
easat-10874	161	22	electrons	electron	NOUN
easat-10874	161	23	from	from	ADP
easat-10874	161	24	adjacent	adjacent	ADJ
easat-10874	161	25	compounds	compound	NOUN
easat-10874	161	26	.	.	PUNCT
easat-10874	162	1	furthermore	furthermore	ADV
easat-10874	162	2	,	,	PUNCT
easat-10874	162	3	when	when	SCONJ
easat-10874	162	4	all	all	DET
easat-10874	162	5	the	the	DET
easat-10874	162	6	compounds	compound	NOUN
easat-10874	162	7	were	be	AUX
easat-10874	162	8	docked	dock	VERB
easat-10874	162	9	against	against	ADP
easat-10874	162	10	thymidylate	thymidylate	NOUN
easat-10874	162	11	kinase	kinase	PROPN
easat-10874	162	12	from	from	ADP
easat-10874	162	13	gram	gram	NOUN
easat-10874	162	14	-	-	PUNCT
easat-10874	162	15	positive	positive	ADJ
easat-10874	162	16	bacteria	bacteria	NOUN
easat-10874	162	17	(	(	PUNCT
easat-10874	162	18	4hlc	4hlc	NOUN
easat-10874	162	19	)	)	PUNCT
easat-10874	162	20	and	and	CCONJ
easat-10874	162	21	gyrase	gyrase	PROPN
easat-10874	162	22	b	b	PROPN
easat-10874	162	23	from	from	ADP
easat-10874	162	24	thermus	thermus	PROPN
easat-10874	162	25	thermophilus	thermophilus	NOUN
easat-10874	162	26	(	(	PUNCT
easat-10874	162	27	1kij	1kij	NUM
easat-10874	162	28	)	)	PUNCT
easat-10874	162	29	,	,	PUNCT
easat-10874	162	30	compounds	compound	VERB
easat-10874	162	31	9	9	NUM
easat-10874	162	32	and	and	CCONJ
easat-10874	162	33	5	5	NUM
easat-10874	162	34	showed	show	VERB
easat-10874	162	35	greater	great	ADJ
easat-10874	162	36	inhibitory	inhibitory	ADJ
easat-10874	162	37	effects	effect	NOUN
easat-10874	162	38	on	on	ADP
easat-10874	162	39	the	the	DET
easat-10874	162	40	studied	study	VERB
easat-10874	162	41	receptors	receptor	NOUN
easat-10874	162	42	compared	compare	VERB
easat-10874	162	43	to	to	ADP
easat-10874	162	44	the	the	DET
easat-10874	162	45	other	other	ADJ
easat-10874	162	46	compounds	compound	NOUN
easat-10874	162	47	,	,	PUNCT
easat-10874	162	48	respectively	respectively	ADV
easat-10874	162	49	.	.	PUNCT
easat-10874	163	1	the	the	DET
easat-10874	163	2	effectiveness	effectiveness	NOUN
easat-10874	163	3	of	of	ADP
easat-10874	163	4	the	the	DET
easat-10874	163	5	lead	lead	NOUN
easat-10874	163	6	compounds	compound	NOUN
easat-10874	163	7	was	be	AUX
easat-10874	163	8	further	far	ADV
easat-10874	163	9	verified	verify	VERB
easat-10874	163	10	through	through	ADP
easat-10874	163	11	molecular	molecular	ADJ
easat-10874	163	12	dynamics	dynamic	NOUN
easat-10874	163	13	simulations	simulation	NOUN
easat-10874	163	14	,	,	PUNCT
easat-10874	163	15	which	which	PRON
easat-10874	163	16	confirmed	confirm	VERB
easat-10874	163	17	that	that	SCONJ
easat-10874	163	18	these	these	DET
easat-10874	163	19	lead	lead	NOUN
easat-10874	163	20	compounds	compound	NOUN
easat-10874	163	21	had	have	VERB
easat-10874	163	22	a	a	DET
easat-10874	163	23	superior	superior	ADJ
easat-10874	163	24	ability	ability	NOUN
easat-10874	163	25	to	to	PART
easat-10874	163	26	inhibit	inhibit	VERB
easat-10874	163	27	the	the	DET
easat-10874	163	28	studied	study	VERB
easat-10874	163	29	receptors	receptor	NOUN
easat-10874	163	30	relative	relative	ADJ
easat-10874	163	31	to	to	ADP
easat-10874	163	32	the	the	DET
easat-10874	163	33	reference	reference	NOUN
easat-10874	163	34	compound	compound	NOUN
easat-10874	163	35	.	.	PUNCT
easat-10874	164	1	funding	funding	NOUN
easat-10874	164	2	:	:	PUNCT
easat-10874	164	3	this	this	DET
easat-10874	164	4	work	work	NOUN
easat-10874	164	5	was	be	AUX
easat-10874	164	6	supported	support	VERB
easat-10874	164	7	by	by	ADP
easat-10874	164	8	tetfund	tetfund	PROPN
easat-10874	164	9	nigeria	nigeria	PROPN
easat-10874	164	10	institution	institution	NOUN
easat-10874	164	11	-	-	PUNCT
easat-10874	164	12	based	base	VERB
easat-10874	164	13	research	research	NOUN
easat-10874	164	14	grant	grant	NOUN
easat-10874	164	15	:	:	PUNCT
easat-10874	165	1	[	[	X
easat-10874	165	2	grant	grant	NOUN
easat-10874	165	3	number	number	NOUN
easat-10874	165	4	tetf	tetf	NOUN
easat-10874	165	5	/	/	SYM
easat-10874	165	6	dr	dr	PROPN
easat-10874	165	7	&	&	CCONJ
easat-10874	165	8	d	d	PROPN
easat-10874	165	9	/	/	SYM
easat-10874	165	10	ce	ce	PROPN
easat-10874	165	11	/	/	SYM
easat-10874	165	12	univ	univ	PROPN
easat-10874	165	13	/	/	SYM
easat-10874	165	14	ado	ado	NOUN
easat-10874	165	15	ekiti	ekiti	ADJ
easat-10874	165	16	/	/	SYM
easat-10874	165	17	ibr/2023	ibr/2023	NOUN
easat-10874	165	18	/	/	SYM
easat-10874	165	19	vol	vol	NOUN
easat-10874	165	20	.	.	PUNCT
easat-10874	165	21	1/29	1/29	NUM
easat-10874	165	22	]	]	PUNCT
easat-10874	165	23	.	.	PUNCT
easat-10874	166	1	transparency	transparency	NOUN
easat-10874	166	2	:	:	PUNCT
easat-10874	166	3	the	the	DET
easat-10874	166	4	authors	author	NOUN
easat-10874	166	5	confirm	confirm	VERB
easat-10874	166	6	that	that	SCONJ
easat-10874	166	7	the	the	DET
easat-10874	166	8	manuscript	manuscript	NOUN
easat-10874	166	9	is	be	AUX
easat-10874	166	10	an	an	DET
easat-10874	166	11	honest	honest	ADJ
easat-10874	166	12	,	,	PUNCT
easat-10874	166	13	accurate	accurate	ADJ
easat-10874	166	14	,	,	PUNCT
easat-10874	166	15	and	and	CCONJ
easat-10874	166	16	transparent	transparent	ADJ
easat-10874	166	17	account	account	NOUN
easat-10874	166	18	of	of	ADP
easat-10874	166	19	the	the	DET
easat-10874	166	20	study	study	NOUN
easat-10874	166	21	;	;	PUNCT
easat-10874	166	22	that	that	SCONJ
easat-10874	166	23	no	no	DET
easat-10874	166	24	vital	vital	ADJ
easat-10874	166	25	features	feature	NOUN
easat-10874	166	26	of	of	ADP
easat-10874	166	27	the	the	DET
easat-10874	166	28	study	study	NOUN
easat-10874	166	29	have	have	AUX
easat-10874	166	30	been	be	AUX
easat-10874	166	31	omitted	omit	VERB
easat-10874	166	32	;	;	PUNCT
easat-10874	166	33	and	and	CCONJ
easat-10874	166	34	that	that	SCONJ
easat-10874	166	35	any	any	DET
easat-10874	166	36	discrepancies	discrepancy	NOUN
easat-10874	166	37	from	from	ADP
easat-10874	166	38	the	the	DET
easat-10874	166	39	study	study	NOUN
easat-10874	166	40	as	as	SCONJ
easat-10874	166	41	planned	plan	VERB
easat-10874	166	42	have	have	AUX
easat-10874	166	43	been	be	AUX
easat-10874	166	44	explained	explain	VERB
easat-10874	166	45	.	.	PUNCT
easat-10874	167	1	this	this	DET
easat-10874	167	2	study	study	NOUN
easat-10874	167	3	followed	follow	VERB
easat-10874	167	4	all	all	DET
easat-10874	167	5	ethical	ethical	ADJ
easat-10874	167	6	practices	practice	NOUN
easat-10874	167	7	during	during	ADP
easat-10874	167	8	writing	writing	NOUN
easat-10874	167	9	.	.	PUNCT
easat-10874	168	1	copyright	copyright	NOUN
easat-10874	168	2	:	:	PUNCT
easat-10874	168	3	©	©	PROPN
easat-10874	168	4	2025	2025	NUM
easat-10874	168	5	by	by	ADP
easat-10874	168	6	the	the	DET
easat-10874	168	7	authors	author	NOUN
easat-10874	168	8	.	.	PUNCT
easat-10874	169	1	this	this	DET
easat-10874	169	2	article	article	NOUN
easat-10874	169	3	is	be	AUX
easat-10874	169	4	an	an	DET
easat-10874	169	5	open	open	ADJ
easat-10874	169	6	-	-	PUNCT
easat-10874	169	7	access	access	NOUN
easat-10874	169	8	article	article	NOUN
easat-10874	169	9	distributed	distribute	VERB
easat-10874	169	10	under	under	ADP
easat-10874	169	11	the	the	DET
easat-10874	169	12	terms	term	NOUN
easat-10874	169	13	and	and	CCONJ
easat-10874	169	14	conditions	condition	NOUN
easat-10874	169	15	of	of	ADP
easat-10874	169	16	the	the	DET
easat-10874	169	17	creative	creative	ADJ
easat-10874	169	18	commons	common	NOUN
easat-10874	169	19	attribution	attribution	NOUN
easat-10874	169	20	(	(	PUNCT
easat-10874	169	21	cc	cc	NOUN
easat-10874	169	22	by	by	ADP
easat-10874	169	23	)	)	PUNCT
easat-10874	169	24	license	license	NOUN
easat-10874	169	25	(	(	PUNCT
easat-10874	169	26	https://creativecommons.org/licenses/by/4.0/	https://creativecommons.org/licenses/by/4.0/	PROPN
easat-10874	169	27	)	)	PUNCT
easat-10874	169	28	.	.	PUNCT
easat-10874	170	1	references	reference	NOUN
easat-10874	170	2	[	[	X
easat-10874	170	3	1	1	NUM
easat-10874	170	4	]	]	PUNCT
easat-10874	170	5	a.	a.	NOUN
easat-10874	170	6	c.-l	c.-l	PROPN
easat-10874	170	7	.	.	PUNCT
easat-10874	171	1	lee	lee	PROPN
easat-10874	171	2	,	,	PUNCT
easat-10874	171	3	j.	j.	PROPN
easat-10874	171	4	l.	l.	PROPN
easat-10874	171	5	harris	harris	PROPN
easat-10874	171	6	,	,	PUNCT
easat-10874	171	7	k.	k.	PROPN
easat-10874	171	8	k.	k.	PROPN
easat-10874	171	9	khanna	khanna	PROPN
easat-10874	171	10	,	,	PUNCT
easat-10874	171	11	and	and	CCONJ
easat-10874	171	12	j.-h	j.-h	NOUN
easat-10874	171	13	.	.	PUNCT
easat-10874	172	1	hong	hong	PROPN
easat-10874	172	2	,	,	PUNCT
easat-10874	172	3	"	"	PUNCT
easat-10874	172	4	a	a	DET
easat-10874	172	5	comprehensive	comprehensive	ADJ
easat-10874	172	6	review	review	NOUN
easat-10874	172	7	on	on	ADP
easat-10874	172	8	current	current	ADJ
easat-10874	172	9	advances	advance	NOUN
easat-10874	172	10	in	in	ADP
easat-10874	172	11	peptide	peptide	ADJ
easat-10874	172	12	drug	drug	NOUN
easat-10874	172	13	development	development	NOUN
easat-10874	172	14	and	and	CCONJ
easat-10874	172	15	design	design	NOUN
easat-10874	172	16	,	,	PUNCT
easat-10874	172	17	"	"	PUNCT
easat-10874	172	18	international	international	ADJ
easat-10874	172	19	journal	journal	NOUN
easat-10874	172	20	of	of	ADP
easat-10874	172	21	molecular	molecular	ADJ
easat-10874	172	22	sciences	science	NOUN
easat-10874	172	23	,	,	PUNCT
easat-10874	172	24	vol	vol	NOUN
easat-10874	172	25	.	.	PROPN
easat-10874	172	26	20	20	NUM
easat-10874	172	27	,	,	PUNCT
easat-10874	172	28	no	no	INTJ
easat-10874	172	29	.	.	NOUN
easat-10874	172	30	10	10	NUM
easat-10874	172	31	,	,	PUNCT
easat-10874	172	32	p.	p.	NOUN
easat-10874	172	33	2383	2383	NUM
easat-10874	172	34	,	,	PUNCT
easat-10874	172	35	2019	2019	NUM
easat-10874	172	36	.	.	PUNCT
easat-10874	173	1	https://doi.org/10.3390/ijms20102383	https://doi.org/10.3390/ijms20102383	NOUN
easat-10874	174	1	[	[	X
easat-10874	174	2	2	2	X
easat-10874	174	3	]	]	X
easat-10874	174	4	y.	y.	PROPN
easat-10874	174	5	gao	gao	PROPN
easat-10874	174	6	,	,	PUNCT
easat-10874	174	7	x.	x.	PROPN
easat-10874	174	8	yuan	yuan	PROPN
easat-10874	174	9	,	,	PUNCT
easat-10874	174	10	z.	z.	PROPN
easat-10874	174	11	zhu	zhu	PROPN
easat-10874	174	12	,	,	PUNCT
easat-10874	174	13	d.	d.	PROPN
easat-10874	174	14	wang	wang	PROPN
easat-10874	174	15	,	,	PUNCT
easat-10874	174	16	q.	q.	PROPN
easat-10874	174	17	liu	liu	PROPN
easat-10874	174	18	,	,	PUNCT
easat-10874	174	19	and	and	CCONJ
easat-10874	174	20	w.	w.	PROPN
easat-10874	174	21	gu	gu	PROPN
easat-10874	174	22	,	,	PUNCT
easat-10874	174	23	"	"	PUNCT
easat-10874	174	24	research	research	NOUN
easat-10874	174	25	and	and	CCONJ
easat-10874	174	26	prospect	prospect	NOUN
easat-10874	174	27	of	of	ADP
easat-10874	174	28	peptides	peptide	NOUN
easat-10874	174	29	for	for	ADP
easat-10874	174	30	use	use	NOUN
easat-10874	174	31	in	in	ADP
easat-10874	174	32	obesity	obesity	NOUN
easat-10874	174	33	treatment	treatment	NOUN
easat-10874	174	34	,	,	PUNCT
easat-10874	174	35	"	"	PUNCT
easat-10874	174	36	experimental	experimental	ADJ
easat-10874	174	37	and	and	CCONJ
easat-10874	174	38	therapeutic	therapeutic	ADJ
easat-10874	174	39	medicine	medicine	NOUN
easat-10874	174	40	,	,	PUNCT
easat-10874	174	41	vol	vol	NOUN
easat-10874	174	42	.	.	PROPN
easat-10874	174	43	20	20	NUM
easat-10874	174	44	,	,	PUNCT
easat-10874	174	45	no	no	INTJ
easat-10874	174	46	.	.	NOUN
easat-10874	174	47	6	6	NUM
easat-10874	174	48	,	,	PUNCT
easat-10874	174	49	p.	p.	NOUN
easat-10874	174	50	234	234	NUM
easat-10874	174	51	,	,	PUNCT
easat-10874	174	52	2020	2020	NUM
easat-10874	174	53	.	.	PUNCT
easat-10874	175	1	https://doi.org/10.3892/etm.2020.9364	https://doi.org/10.3892/etm.2020.9364	NOUN
easat-10874	175	2	[	[	X
easat-10874	175	3	3	3	NUM
easat-10874	175	4	]	]	X
easat-10874	175	5	n.	n.	PROPN
easat-10874	175	6	bilousova	bilousova	PROPN
easat-10874	175	7	,	,	PUNCT
easat-10874	175	8	n.	n.	PROPN
easat-10874	175	9	tkachenko	tkachenko	PROPN
easat-10874	175	10	,	,	PUNCT
easat-10874	175	11	n.	n.	PROPN
easat-10874	175	12	kozhuharyova	kozhuharyova	PROPN
easat-10874	175	13	,	,	PUNCT
easat-10874	175	14	and	and	CCONJ
easat-10874	175	15	m.	m.	PROPN
easat-10874	175	16	dolzhenko	dolzhenko	PROPN
easat-10874	175	17	,	,	PUNCT
easat-10874	175	18	"	"	PUNCT
easat-10874	175	19	research	research	NOUN
easat-10874	175	20	of	of	ADP
easat-10874	175	21	affordability	affordability	NOUN
easat-10874	175	22	to	to	ADP
easat-10874	175	23	essential	essential	ADJ
easat-10874	175	24	medicines	medicine	NOUN
easat-10874	175	25	for	for	ADP
easat-10874	175	26	coronary	coronary	ADJ
easat-10874	175	27	heart	heart	NOUN
easat-10874	175	28	disease	disease	NOUN
easat-10874	175	29	in	in	ADP
easat-10874	175	30	ukraine	ukraine	NOUN
easat-10874	175	31	,	,	PUNCT
easat-10874	175	32	"	"	PUNCT
easat-10874	175	33	journal	journal	NOUN
easat-10874	175	34	of	of	ADP
easat-10874	175	35	pharmaceutical	pharmaceutical	NOUN
easat-10874	175	36	policy	policy	NOUN
easat-10874	175	37	and	and	CCONJ
easat-10874	175	38	practice	practice	NOUN
easat-10874	175	39	,	,	PUNCT
easat-10874	175	40	vol	vol	NOUN
easat-10874	175	41	.	.	PROPN
easat-10874	175	42	18	18	NUM
easat-10874	175	43	,	,	PUNCT
easat-10874	175	44	no	no	INTJ
easat-10874	175	45	.	.	NOUN
easat-10874	175	46	1	1	NUM
easat-10874	175	47	,	,	PUNCT
easat-10874	175	48	p.	p.	NOUN
easat-10874	175	49	2470841	2470841	NUM
easat-10874	175	50	,	,	PUNCT
easat-10874	175	51	2025	2025	NUM
easat-10874	175	52	.	.	PUNCT
easat-10874	176	1	https://doi.org/10.1080/20523211.2025.2470841	https://doi.org/10.1080/20523211.2025.2470841	PROPN
easat-10874	177	1	[	[	X
easat-10874	177	2	4	4	X
easat-10874	177	3	]	]	PUNCT
easat-10874	177	4	j.	j.	PROPN
easat-10874	177	5	j.	j.	PROPN
easat-10874	177	6	majura	majura	PROPN
easat-10874	177	7	et	et	PROPN
easat-10874	177	8	al	al	PROPN
easat-10874	177	9	.	.	PROPN
easat-10874	177	10	,	,	PUNCT
easat-10874	177	11	"	"	PUNCT
easat-10874	177	12	the	the	DET
easat-10874	177	13	current	current	ADJ
easat-10874	177	14	research	research	NOUN
easat-10874	177	15	status	status	NOUN
easat-10874	177	16	and	and	CCONJ
easat-10874	177	17	strategies	strategy	NOUN
easat-10874	177	18	employed	employ	VERB
easat-10874	177	19	to	to	PART
easat-10874	177	20	modify	modify	VERB
easat-10874	177	21	food	food	NOUN
easat-10874	177	22	-	-	PUNCT
easat-10874	177	23	derived	derive	VERB
easat-10874	177	24	bioactive	bioactive	ADJ
easat-10874	177	25	peptides	peptide	NOUN
easat-10874	177	26	,	,	PUNCT
easat-10874	177	27	"	"	PUNCT
easat-10874	177	28	frontiers	frontier	NOUN
easat-10874	177	29	in	in	ADP
easat-10874	177	30	nutrition	nutrition	NOUN
easat-10874	177	31	,	,	PUNCT
easat-10874	177	32	vol	vol	NOUN
easat-10874	177	33	.	.	PROPN
easat-10874	177	34	9	9	NUM
easat-10874	177	35	,	,	PUNCT
easat-10874	177	36	p.	p.	NOUN
easat-10874	177	37	950823	950823	NUM
easat-10874	177	38	,	,	PUNCT
easat-10874	177	39	2022	2022	NUM
easat-10874	177	40	.	.	PUNCT
easat-10874	178	1	https://doi.org/10.3389/fnut.2022.950823	https://doi.org/10.3389/fnut.2022.950823	PROPN
easat-10874	179	1	[	[	X
easat-10874	179	2	5	5	NUM
easat-10874	179	3	]	]	PUNCT
easat-10874	179	4	o.	o.	PROPN
easat-10874	179	5	w.	w.	PROPN
easat-10874	179	6	press	press	PROPN
easat-10874	179	7	et	et	PROPN
easat-10874	179	8	al	al	PROPN
easat-10874	179	9	.	.	PROPN
easat-10874	179	10	,	,	PUNCT
easat-10874	179	11	"	"	PUNCT
easat-10874	179	12	phase	phase	NOUN
easat-10874	179	13	ii	ii	NOUN
easat-10874	179	14	trial	trial	NOUN
easat-10874	179	15	of	of	ADP
easat-10874	179	16	131i	131i	PROPN
easat-10874	179	17	-	-	PUNCT
easat-10874	179	18	b1	b1	NOUN
easat-10874	179	19	(	(	PUNCT
easat-10874	179	20	anti	anti	ADJ
easat-10874	179	21	-	-	ADJ
easat-10874	179	22	cd20	cd20	ADJ
easat-10874	179	23	)	)	PUNCT
easat-10874	179	24	antibody	antibody	NOUN
easat-10874	179	25	therapy	therapy	NOUN
easat-10874	179	26	with	with	ADP
easat-10874	179	27	autologous	autologous	ADJ
easat-10874	179	28	stem	stem	NOUN
easat-10874	179	29	cell	cell	NOUN
easat-10874	179	30	transplantation	transplantation	NOUN
easat-10874	179	31	for	for	ADP
easat-10874	179	32	relapsed	relapse	VERB
easat-10874	179	33	b	b	PROPN
easat-10874	179	34	cell	cell	NOUN
easat-10874	179	35	lymphomas	lymphoma	NOUN
easat-10874	179	36	,	,	PUNCT
easat-10874	179	37	"	"	PUNCT
easat-10874	179	38	the	the	DET
easat-10874	179	39	lancet	lancet	NOUN
easat-10874	179	40	,	,	PUNCT
easat-10874	179	41	vol	vol	NOUN
easat-10874	179	42	.	.	PROPN
easat-10874	179	43	346	346	NUM
easat-10874	179	44	,	,	PUNCT
easat-10874	179	45	pp	pp	ADJ
easat-10874	179	46	.	.	PUNCT
easat-10874	180	1	336–340	336–340	NUM
easat-10874	180	2	,	,	PUNCT
easat-10874	180	3	1995	1995	NUM
easat-10874	180	4	.	.	PUNCT
easat-10874	181	1	[	[	X
easat-10874	181	2	6	6	NUM
easat-10874	181	3	]	]	PUNCT
easat-10874	181	4	c.	c.	PROPN
easat-10874	181	5	a.	a.	PROPN
easat-10874	181	6	brizuela	brizuela	PROPN
easat-10874	181	7	,	,	PUNCT
easat-10874	181	8	g.	g.	PROPN
easat-10874	181	9	liu	liu	PROPN
easat-10874	181	10	,	,	PUNCT
easat-10874	181	11	j.	j.	PROPN
easat-10874	181	12	m.	m.	PROPN
easat-10874	181	13	stokes	stokes	PROPN
easat-10874	181	14	,	,	PUNCT
easat-10874	181	15	and	and	CCONJ
easat-10874	181	16	c.	c.	PROPN
easat-10874	181	17	de	de	PROPN
easat-10874	181	18	la	la	PROPN
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easat-10874	181	20	,	,	PUNCT
easat-10874	181	21	"	"	PUNCT
easat-10874	181	22	ai	ai	VERB
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easat-10874	181	24	for	for	ADP
easat-10874	181	25	antimicrobial	antimicrobial	ADJ
easat-10874	181	26	peptides	peptide	NOUN
easat-10874	181	27	:	:	PUNCT
easat-10874	181	28	progress	progress	NOUN
easat-10874	181	29	and	and	CCONJ
easat-10874	181	30	challenges	challenge	NOUN
easat-10874	181	31	,	,	PUNCT
easat-10874	181	32	"	"	PUNCT
easat-10874	181	33	microbial	microbial	ADJ
easat-10874	181	34	biotechnology	biotechnology	NOUN
easat-10874	181	35	,	,	PUNCT
easat-10874	181	36	vol	vol	NOUN
easat-10874	181	37	.	.	PROPN
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easat-10874	181	39	,	,	PUNCT
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easat-10874	181	41	.	.	NOUN
easat-10874	181	42	1	1	NUM
easat-10874	181	43	,	,	PUNCT
easat-10874	181	44	p.	p.	NOUN
easat-10874	181	45	e70072	e70072	PROPN
easat-10874	181	46	,	,	PUNCT
easat-10874	181	47	2025	2025	NUM
easat-10874	181	48	.	.	PUNCT
easat-10874	182	1	https://doi.org/10.1111/1751-7915.70072	https://doi.org/10.1111/1751-7915.70072	NOUN
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easat-10874	183	2	7	7	X
easat-10874	183	3	]	]	X
easat-10874	183	4	i.	i.	PROPN
easat-10874	183	5	e.	e.	PROPN
easat-10874	183	6	mba	mba	PROPN
easat-10874	183	7	and	and	CCONJ
easat-10874	183	8	e.	e.	PROPN
easat-10874	183	9	i.	i.	PROPN
easat-10874	183	10	nweze	nweze	PROPN
easat-10874	183	11	,	,	PUNCT
easat-10874	183	12	"	"	PUNCT
easat-10874	183	13	antimicrobial	antimicrobial	ADJ
easat-10874	183	14	peptides	peptide	NOUN
easat-10874	183	15	therapy	therapy	NOUN
easat-10874	183	16	:	:	PUNCT
easat-10874	183	17	an	an	DET
easat-10874	183	18	emerging	emerge	VERB
easat-10874	183	19	alternative	alternative	NOUN
easat-10874	183	20	for	for	ADP
easat-10874	183	21	treating	treat	VERB
easat-10874	183	22	drug	drug	NOUN
easat-10874	183	23	-	-	PUNCT
easat-10874	183	24	resistant	resistant	ADJ
easat-10874	183	25	bacteria	bacteria	NOUN
easat-10874	183	26	,	,	PUNCT
easat-10874	183	27	"	"	PUNCT
easat-10874	183	28	the	the	DET
easat-10874	183	29	yale	yale	PROPN
easat-10874	183	30	journal	journal	PROPN
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easat-10874	183	32	biology	biology	NOUN
easat-10874	183	33	and	and	CCONJ
easat-10874	183	34	medicine	medicine	NOUN
easat-10874	183	35	,	,	PUNCT
easat-10874	183	36	vol	vol	NOUN
easat-10874	183	37	.	.	PROPN
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easat-10874	183	39	,	,	PUNCT
easat-10874	183	40	no	no	INTJ
easat-10874	183	41	.	.	NOUN
easat-10874	183	42	4	4	NUM
easat-10874	183	43	,	,	PUNCT
easat-10874	183	44	pp	pp	ADJ
easat-10874	183	45	.	.	PUNCT
easat-10874	184	1	445–463	445–463	NUM
easat-10874	184	2	,	,	PUNCT
easat-10874	184	3	2022	2022	NUM
easat-10874	184	4	.	.	PUNCT
easat-10874	185	1	[	[	X
easat-10874	185	2	8	8	NUM
easat-10874	185	3	]	]	PUNCT
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easat-10874	185	10	(	(	PUNCT
easat-10874	185	11	cdc	cdc	PROPN
easat-10874	185	12	)	)	PUNCT
easat-10874	185	13	,	,	PUNCT
easat-10874	185	14	"	"	PUNCT
easat-10874	185	15	antibiotic	antibiotic	ADJ
easat-10874	185	16	resistance	resistance	NOUN
easat-10874	185	17	threats	threat	NOUN
easat-10874	185	18	in	in	ADP
easat-10874	185	19	the	the	DET
easat-10874	185	20	united	united	PROPN
easat-10874	185	21	states	states	PROPN
easat-10874	185	22	,	,	PUNCT
easat-10874	185	23	"	"	PUNCT
easat-10874	185	24	2022	2022	NUM
easat-10874	185	25	.	.	PUNCT
easat-10874	186	1	https://www.cdc.gov/	https://www.cdc.gov/	PROPN
easat-10874	187	1	[	[	X
easat-10874	187	2	9	9	NUM
easat-10874	187	3	]	]	PUNCT
easat-10874	187	4	l.	l.	NOUN
easat-10874	187	5	bonadonna	bonadonna	PROPN
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easat-10874	187	9	,	,	PUNCT
easat-10874	187	10	and	and	CCONJ
easat-10874	187	11	a.	a.	NOUN
easat-10874	187	12	m.	m.	NOUN
easat-10874	187	13	coccia	coccia	PROPN
easat-10874	187	14	,	,	PUNCT
easat-10874	187	15	analysis	analysis	NOUN
easat-10874	187	16	of	of	ADP
easat-10874	187	17	microorganisms	microorganism	NOUN
easat-10874	187	18	in	in	ADP
easat-10874	187	19	hospital	hospital	NOUN
easat-10874	187	20	environments	environment	NOUN
easat-10874	187	21	and	and	CCONJ
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easat-10874	187	23	risks	risk	NOUN
easat-10874	187	24	.	.	PUNCT
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easat-10874	188	4	in	in	ADP
easat-10874	188	5	healthcare	healthcare	PROPN
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easat-10874	188	7	.	.	PUNCT
easat-10874	189	1	cham	cham	PROPN
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easat-10874	189	6	.	.	PUNCT
easat-10874	190	1	[	[	X
easat-10874	190	2	10	10	NUM
easat-10874	190	3	]	]	PUNCT
easat-10874	190	4	k.	k.	PROPN
easat-10874	190	5	lindström	lindström	PROPN
easat-10874	190	6	and	and	CCONJ
easat-10874	190	7	s.	s.	PROPN
easat-10874	190	8	a.	a.	PROPN
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easat-10874	190	10	,	,	PUNCT
easat-10874	190	11	"	"	PUNCT
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easat-10874	190	15	fixation	fixation	NOUN
easat-10874	190	16	in	in	ADP
easat-10874	190	17	rhizobia	rhizobia	NOUN
easat-10874	190	18	,	,	PUNCT
easat-10874	190	19	"	"	PUNCT
easat-10874	190	20	microbial	microbial	ADJ
easat-10874	190	21	biotechnology	biotechnology	NOUN
easat-10874	190	22	,	,	PUNCT
easat-10874	190	23	vol	vol	NOUN
easat-10874	190	24	.	.	PROPN
easat-10874	190	25	13	13	NUM
easat-10874	190	26	,	,	PUNCT
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easat-10874	190	29	5	5	NUM
easat-10874	190	30	,	,	PUNCT
easat-10874	190	31	pp	pp	ADJ
easat-10874	190	32	.	.	PUNCT
easat-10874	190	33	1314	1314	NUM
easat-10874	190	34	-	-	SYM
easat-10874	190	35	1335	1335	NUM
easat-10874	190	36	,	,	PUNCT
easat-10874	190	37	2020	2020	NUM
easat-10874	190	38	.	.	PUNCT
easat-10874	191	1	https://doi.org/10.1111/1751-7915.13517	https://doi.org/10.1111/1751-7915.13517	PROPN
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easat-10874	191	19	-	-	SYM
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easat-10874	191	22	.	.	PROPN
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easat-10874	192	4	.	.	NOUN
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easat-10874	192	6	:	:	PUNCT
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easat-10874	192	8	-	-	SYM
easat-10874	192	9	386	386	NUM
easat-10874	192	10	,	,	PUNCT
easat-10874	192	11	2025	2025	NUM
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easat-10874	192	13	:	:	PUNCT
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easat-10874	192	15	-	-	SYM
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easat-10874	194	2	11	11	NUM
easat-10874	194	3	]	]	PUNCT
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easat-10874	194	14	through	through	ADP
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easat-10874	194	17	in	in	ADP
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easat-10874	194	19	improvement	improvement	NOUN
easat-10874	194	20	,	,	PUNCT
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easat-10874	194	26	,	,	PUNCT
easat-10874	194	27	"	"	PUNCT
easat-10874	194	28	plant	plant	NOUN
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easat-10874	194	30	,	,	PUNCT
easat-10874	194	31	vol	vol	NOUN
easat-10874	194	32	.	.	PROPN
easat-10874	194	33	10	10	NUM
easat-10874	194	34	,	,	PUNCT
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easat-10874	194	37	,	,	PUNCT
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easat-10874	194	39	.	.	PUNCT
easat-10874	195	1	https://doi.org/10.1016/j.stress.2023.100283	https://doi.org/10.1016/j.stress.2023.100283	PROPN
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easat-10874	195	3	12	12	NUM
easat-10874	195	4	]	]	PUNCT
easat-10874	195	5	s.	s.	PROPN
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easat-10874	195	9	.	.	PROPN
easat-10874	195	10	,	,	PUNCT
easat-10874	195	11	"	"	PUNCT
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easat-10874	195	16	bacteria	bacteria	NOUN
easat-10874	195	17	detection	detection	NOUN
easat-10874	195	18	and	and	CCONJ
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easat-10874	195	20	advances	advance	NOUN
easat-10874	195	21	in	in	ADP
easat-10874	195	22	wastewater	wastewater	NOUN
easat-10874	195	23	analysis	analysis	NOUN
easat-10874	195	24	,	,	PUNCT
easat-10874	195	25	"	"	PUNCT
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easat-10874	195	27	,	,	PUNCT
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easat-10874	195	29	.	.	PROPN
easat-10874	195	30	13	13	NUM
easat-10874	195	31	,	,	PUNCT
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easat-10874	195	33	.	.	NOUN
easat-10874	195	34	24	24	NUM
easat-10874	195	35	,	,	PUNCT
easat-10874	195	36	p.	p.	NOUN
easat-10874	195	37	3551	3551	NUM
easat-10874	195	38	,	,	PUNCT
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easat-10874	195	40	.	.	PUNCT
easat-10874	196	1	https://doi.org/10.3390/w13243551	https://doi.org/10.3390/w13243551	NUM
easat-10874	196	2	[	[	X
easat-10874	196	3	13	13	NUM
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easat-10874	196	7	-	-	PUNCT
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easat-10874	196	9	et	et	NOUN
easat-10874	196	10	al	al	PROPN
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easat-10874	196	26	(	(	PUNCT
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easat-10874	196	28	)	)	PUNCT
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easat-10874	196	30	"	"	PUNCT
easat-10874	196	31	bioorganic	bioorganic	PROPN
easat-10874	196	32	&	&	CCONJ
easat-10874	196	33	medicinal	medicinal	ADJ
easat-10874	196	34	chemistry	chemistry	NOUN
easat-10874	196	35	letters	letter	NOUN
easat-10874	196	36	,	,	PUNCT
easat-10874	196	37	vol	vol	NOUN
easat-10874	196	38	.	.	PROPN
easat-10874	196	39	23	23	NUM
easat-10874	196	40	,	,	PUNCT
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easat-10874	196	42	.	.	NOUN
easat-10874	196	43	1	1	NUM
easat-10874	196	44	,	,	PUNCT
easat-10874	196	45	pp	pp	ADJ
easat-10874	196	46	.	.	PUNCT
easat-10874	197	1	169	169	NUM
easat-10874	197	2	-	-	SYM
easat-10874	197	3	173	173	NUM
easat-10874	197	4	,	,	PUNCT
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easat-10874	198	7	l.	l.	PROPN
easat-10874	198	8	hoermann	hoermann	PROPN
easat-10874	198	9	,	,	PUNCT
easat-10874	198	10	j.-m	j.-m	PROPN
easat-10874	198	11	.	.	PUNCT
easat-10874	199	1	jeltsch	jeltsch	PROPN
easat-10874	199	2	,	,	PUNCT
easat-10874	199	3	p.	p.	NOUN
easat-10874	199	4	oudet	oudet	NOUN
easat-10874	199	5	,	,	PUNCT
easat-10874	199	6	and	and	CCONJ
easat-10874	199	7	d.	d.	PROPN
easat-10874	199	8	moras	moras	PROPN
easat-10874	199	9	,	,	PUNCT
easat-10874	199	10	"	"	PUNCT
easat-10874	199	11	an	an	DET
easat-10874	199	12	open	open	ADJ
easat-10874	199	13	conformation	conformation	NOUN
easat-10874	199	14	of	of	ADP
easat-10874	199	15	the	the	DET
easat-10874	199	16	thermus	thermus	PROPN
easat-10874	199	17	thermophilusgyrase	thermophilusgyrase	PROPN
easat-10874	199	18	b	b	PROPN
easat-10874	199	19	atp	atp	PROPN
easat-10874	199	20	-	-	PUNCT
easat-10874	199	21	binding	bind	VERB
easat-10874	199	22	domain	domain	NOUN
easat-10874	199	23	,	,	PUNCT
easat-10874	199	24	"	"	PUNCT
easat-10874	199	25	journal	journal	NOUN
easat-10874	199	26	of	of	ADP
easat-10874	199	27	biological	biological	ADJ
easat-10874	199	28	chemistry	chemistry	NOUN
easat-10874	199	29	,	,	PUNCT
easat-10874	199	30	vol	vol	NOUN
easat-10874	199	31	.	.	PROPN
easat-10874	200	1	277	277	NUM
easat-10874	200	2	,	,	PUNCT
easat-10874	200	3	no	no	INTJ
easat-10874	200	4	.	.	NOUN
easat-10874	200	5	21	21	NUM
easat-10874	200	6	,	,	PUNCT
easat-10874	200	7	pp	pp	ADJ
easat-10874	200	8	.	.	PUNCT
easat-10874	201	1	18947	18947	NUM
easat-10874	201	2	-	-	SYM
easat-10874	201	3	18953	18953	NUM
easat-10874	201	4	,	,	PUNCT
easat-10874	201	5	2002	2002	NUM
easat-10874	201	6	.	.	PUNCT
easat-10874	202	1	[	[	X
easat-10874	202	2	15	15	NUM
easat-10874	202	3	]	]	X
easat-10874	202	4	l.	l.	PROPN
easat-10874	202	5	qin	qin	PROPN
easat-10874	202	6	,	,	PUNCT
easat-10874	202	7	y.	y.	PROPN
easat-10874	202	8	x.	x.	PROPN
easat-10874	202	9	zhao	zhao	PROPN
easat-10874	202	10	,	,	PUNCT
easat-10874	202	11	y.	y.	PROPN
easat-10874	202	12	n.	n.	PROPN
easat-10874	202	13	wang	wang	PROPN
easat-10874	202	14	,	,	PUNCT
easat-10874	202	15	j.	j.	PROPN
easat-10874	202	16	l.	l.	PROPN
easat-10874	202	17	an	an	PROPN
easat-10874	202	18	,	,	PUNCT
easat-10874	202	19	q.	q.	PROPN
easat-10874	202	20	liu	liu	PROPN
easat-10874	202	21	,	,	PUNCT
easat-10874	202	22	and	and	CCONJ
easat-10874	202	23	h.	h.	PROPN
easat-10874	202	24	g.	g.	PROPN
easat-10874	202	25	zheng	zheng	PROPN
easat-10874	202	26	,	,	PUNCT
easat-10874	202	27	"	"	PUNCT
easat-10874	202	28	the	the	DET
easat-10874	202	29	effects	effect	NOUN
easat-10874	202	30	of	of	ADP
easat-10874	202	31	ligands	ligand	NOUN
easat-10874	202	32	with	with	ADP
easat-10874	202	33	different	different	ADJ
easat-10874	202	34	electron	electron	NOUN
easat-10874	202	35	donation	donation	NOUN
easat-10874	202	36	on	on	ADP
easat-10874	202	37	the	the	DET
easat-10874	202	38	nitrogen	nitrogen	NOUN
easat-10874	202	39	reduction	reduction	NOUN
easat-10874	202	40	performance	performance	NOUN
easat-10874	202	41	of	of	ADP
easat-10874	202	42	constructed	constructed	ADJ
easat-10874	202	43	co‐mofs	co‐mof	NOUN
easat-10874	202	44	:	:	PUNCT
easat-10874	202	45	nh3	nh3	NUM
easat-10874	202	46	or	or	CCONJ
easat-10874	202	47	n2h4	n2h4	NOUN
easat-10874	202	48	?	?	NUM
easat-10874	202	49	,	,	PUNCT
easat-10874	202	50	"	"	PUNCT
easat-10874	202	51	small	small	ADJ
easat-10874	202	52	methods	method	NOUN
easat-10874	202	53	,	,	PUNCT
easat-10874	202	54	vol	vol	NOUN
easat-10874	202	55	.	.	PROPN
easat-10874	202	56	9	9	NUM
easat-10874	202	57	,	,	PUNCT
easat-10874	202	58	no	no	INTJ
easat-10874	202	59	.	.	NOUN
easat-10874	202	60	5	5	NUM
easat-10874	202	61	,	,	PUNCT
easat-10874	202	62	p.	p.	NOUN
easat-10874	202	63	2401603	2401603	NUM
easat-10874	202	64	,	,	PUNCT
easat-10874	202	65	2025	2025	NUM
easat-10874	202	66	.	.	PUNCT
easat-10874	203	1	https://doi.org/10.1002/smtd.202401603	https://doi.org/10.1002/smtd.202401603	PROPN
easat-10874	204	1	[	[	X
easat-10874	204	2	16	16	NUM
easat-10874	204	3	]	]	PUNCT
easat-10874	204	4	z.	z.	PROPN
easat-10874	204	5	yin	yin	PROPN
easat-10874	204	6	,	,	PUNCT
easat-10874	204	7	w.	w.	PROPN
easat-10874	204	8	song	song	PROPN
easat-10874	204	9	,	,	PUNCT
easat-10874	204	10	b.	b.	PROPN
easat-10874	204	11	li	li	PROPN
easat-10874	204	12	,	,	PUNCT
easat-10874	204	13	f.	f.	PROPN
easat-10874	204	14	wang	wang	PROPN
easat-10874	204	15	,	,	PUNCT
easat-10874	204	16	l.	l.	PROPN
easat-10874	204	17	xie	xie	PROPN
easat-10874	204	18	,	,	PUNCT
easat-10874	204	19	and	and	CCONJ
easat-10874	204	20	x.	x.	PROPN
easat-10874	204	21	xu	xu	PROPN
easat-10874	204	22	,	,	PUNCT
easat-10874	204	23	"	"	PUNCT
easat-10874	204	24	neural	neural	ADJ
easat-10874	204	25	networks	network	NOUN
easat-10874	204	26	prediction	prediction	NOUN
easat-10874	204	27	of	of	ADP
easat-10874	204	28	the	the	DET
easat-10874	204	29	protein	protein	NOUN
easat-10874	204	30	-	-	PUNCT
easat-10874	204	31	ligand	ligand	NOUN
easat-10874	204	32	binding	bind	VERB
easat-10874	204	33	affinity	affinity	NOUN
easat-10874	204	34	with	with	ADP
easat-10874	204	35	circular	circular	ADJ
easat-10874	204	36	fingerprints	fingerprint	NOUN
easat-10874	204	37	,	,	PUNCT
easat-10874	204	38	"	"	PUNCT
easat-10874	204	39	technology	technology	NOUN
easat-10874	204	40	and	and	CCONJ
easat-10874	204	41	health	health	NOUN
easat-10874	204	42	care	care	NOUN
easat-10874	204	43	,	,	PUNCT
easat-10874	204	44	vol	vol	NOUN
easat-10874	204	45	.	.	PROPN
easat-10874	204	46	31	31	NUM
easat-10874	204	47	,	,	PUNCT
easat-10874	204	48	no	no	INTJ
easat-10874	204	49	.	.	PUNCT
easat-10874	205	1	1_suppl	1_suppl	NUM
easat-10874	205	2	,	,	PUNCT
easat-10874	205	3	pp	pp	ADJ
easat-10874	205	4	.	.	PUNCT
easat-10874	206	1	487	487	NUM
easat-10874	206	2	-	-	SYM
easat-10874	206	3	495	495	NUM
easat-10874	206	4	,	,	PUNCT
easat-10874	206	5	2023	2023	NUM
easat-10874	206	6	.	.	PUNCT
easat-10874	207	1	https://doi.org/10.3233/thc-236042	https://doi.org/10.3233/thc-236042	PRON
easat-10874	207	2	[	[	X
easat-10874	207	3	17	17	NUM
easat-10874	207	4	]	]	X
easat-10874	207	5	f.	f.	PROPN
easat-10874	207	6	leidner	leidner	PROPN
easat-10874	207	7	,	,	PUNCT
easat-10874	207	8	n.	n.	PROPN
easat-10874	207	9	kurt	kurt	PROPN
easat-10874	207	10	yilmaz	yilmaz	PROPN
easat-10874	207	11	,	,	PUNCT
easat-10874	207	12	and	and	CCONJ
easat-10874	207	13	c.	c.	PROPN
easat-10874	207	14	a.	a.	PROPN
easat-10874	207	15	schiffer	schiffer	PROPN
easat-10874	207	16	,	,	PUNCT
easat-10874	207	17	"	"	PUNCT
easat-10874	207	18	target	target	NOUN
easat-10874	207	19	-	-	PUNCT
easat-10874	207	20	specific	specific	ADJ
easat-10874	207	21	prediction	prediction	NOUN
easat-10874	207	22	of	of	ADP
easat-10874	207	23	ligand	ligand	ADJ
easat-10874	207	24	affinity	affinity	NOUN
easat-10874	207	25	with	with	ADP
easat-10874	207	26	structure	structure	NOUN
easat-10874	207	27	-	-	PUNCT
easat-10874	207	28	based	base	VERB
easat-10874	207	29	interaction	interaction	NOUN
easat-10874	207	30	fingerprints	fingerprint	NOUN
easat-10874	207	31	,	,	PUNCT
easat-10874	207	32	"	"	PUNCT
easat-10874	207	33	journal	journal	NOUN
easat-10874	207	34	of	of	ADP
easat-10874	207	35	chemical	chemical	ADJ
easat-10874	207	36	information	information	NOUN
easat-10874	207	37	and	and	CCONJ
easat-10874	207	38	modeling	modeling	NOUN
easat-10874	207	39	,	,	PUNCT
easat-10874	207	40	vol	vol	NOUN
easat-10874	207	41	.	.	PROPN
easat-10874	208	1	59	59	NUM
easat-10874	208	2	,	,	PUNCT
easat-10874	208	3	no	no	INTJ
easat-10874	208	4	.	.	NOUN
easat-10874	208	5	9	9	NUM
easat-10874	208	6	,	,	PUNCT
easat-10874	208	7	pp	pp	ADJ
easat-10874	208	8	.	.	PUNCT
easat-10874	209	1	3679	3679	NUM
easat-10874	209	2	-	-	SYM
easat-10874	209	3	3691	3691	NUM
easat-10874	209	4	,	,	PUNCT
easat-10874	209	5	2019	2019	NUM
easat-10874	209	6	.	.	PUNCT
easat-10874	210	1	https://doi.org/10.1021/acs.jcim.9b00457	https://doi.org/10.1021/acs.jcim.9b00457	PRON
easat-10874	210	2	[	[	X
easat-10874	210	3	18	18	NUM
easat-10874	210	4	]	]	PUNCT
easat-10874	210	5	a.	a.	PROPN
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easat-10874	210	7	,	,	PUNCT
easat-10874	210	8	r.	r.	PROPN
easat-10874	210	9	w.	w.	PROPN
easat-10874	210	10	newberry	newberry	PROPN
easat-10874	210	11	,	,	PUNCT
easat-10874	210	12	and	and	CCONJ
easat-10874	210	13	r.	r.	PROPN
easat-10874	210	14	t.	t.	PROPN
easat-10874	210	15	raines	raines	PROPN
easat-10874	210	16	,	,	PUNCT
easat-10874	210	17	"	"	PUNCT
easat-10874	210	18	n→	n→	ADV
easat-10874	210	19	π	π	PROPN
easat-10874	210	20	*	*	NOUN
easat-10874	210	21	interactions	interaction	NOUN
easat-10874	210	22	engender	engender	VERB
easat-10874	210	23	chirality	chirality	NOUN
easat-10874	210	24	in	in	ADP
easat-10874	210	25	carbonyl	carbonyl	NOUN
easat-10874	210	26	groups	group	NOUN
easat-10874	210	27	,	,	PUNCT
easat-10874	210	28	"	"	PUNCT
easat-10874	210	29	organic	organic	ADJ
easat-10874	210	30	letters	letter	NOUN
easat-10874	210	31	,	,	PUNCT
easat-10874	210	32	vol	vol	NOUN
easat-10874	210	33	.	.	PROPN
easat-10874	210	34	16	16	NUM
easat-10874	210	35	,	,	PUNCT
easat-10874	210	36	no	no	INTJ
easat-10874	210	37	.	.	NOUN
easat-10874	210	38	13	13	NUM
easat-10874	210	39	,	,	PUNCT
easat-10874	210	40	pp	pp	ADJ
easat-10874	210	41	.	.	PUNCT
easat-10874	211	1	3421	3421	NUM
easat-10874	211	2	-	-	SYM
easat-10874	211	3	3423	3423	NUM
easat-10874	211	4	,	,	PUNCT
easat-10874	211	5	2014	2014	NUM
easat-10874	211	6	.	.	PUNCT
easat-10874	212	1	https://doi.org/10.1021/ol5012967	https://doi.org/10.1021/ol5012967	PRON
easat-10874	213	1	[	[	X
easat-10874	213	2	19	19	NUM
easat-10874	213	3	]	]	PUNCT
easat-10874	213	4	b.	b.	PROPN
easat-10874	213	5	semire	semire	PROPN
easat-10874	213	6	,	,	PUNCT
easat-10874	213	7	a.	a.	NOUN
easat-10874	213	8	oyebamiji	oyebamiji	PROPN
easat-10874	213	9	,	,	PUNCT
easat-10874	213	10	and	and	CCONJ
easat-10874	213	11	m.	m.	PROPN
easat-10874	213	12	ahmad	ahmad	PROPN
easat-10874	213	13	,	,	PUNCT
easat-10874	213	14	"	"	PUNCT
easat-10874	213	15	theoretical	theoretical	ADJ
easat-10874	213	16	study	study	NOUN
easat-10874	213	17	on	on	ADP
easat-10874	213	18	structure	structure	NOUN
easat-10874	213	19	and	and	CCONJ
easat-10874	213	20	electronic	electronic	ADJ
easat-10874	213	21	properties	property	NOUN
easat-10874	213	22	of	of	ADP
easat-10874	213	23	2	2	NUM
easat-10874	213	24	,	,	PUNCT
easat-10874	213	25	5	5	NUM
easat-10874	213	26	-	-	PUNCT
easat-10874	213	27	bis	bis	NOUN
easat-10874	213	28	[	[	PUNCT
easat-10874	213	29	4	4	NUM
easat-10874	213	30	-	-	PUNCT
easat-10874	213	31	n	n	CCONJ
easat-10874	213	32	,	,	PUNCT
easat-10874	213	33	n	n	CCONJ
easat-10874	213	34	-	-	PUNCT
easat-10874	213	35	diethylaminostyryl	diethylaminostyryl	NOUN
easat-10874	213	36	]	]	X
easat-10874	213	37	thiophene	thiophene	NOUN
easat-10874	213	38	and	and	CCONJ
easat-10874	213	39	its	its	PRON
easat-10874	213	40	furan	furan	NOUN
easat-10874	213	41	and	and	CCONJ
easat-10874	213	42	pyrrole	pyrrole	NOUN
easat-10874	213	43	derivatives	derivative	NOUN
easat-10874	213	44	using	use	VERB
easat-10874	213	45	density	density	NOUN
easat-10874	213	46	functional	functional	ADJ
easat-10874	213	47	theory	theory	NOUN
easat-10874	213	48	(	(	PUNCT
easat-10874	213	49	dft	dft	PROPN
easat-10874	213	50	)	)	PUNCT
easat-10874	213	51	,	,	PUNCT
easat-10874	213	52	"	"	PUNCT
easat-10874	213	53	pakistan	pakistan	PROPN
easat-10874	213	54	journal	journal	PROPN
easat-10874	213	55	of	of	ADP
easat-10874	213	56	chemistry	chemistry	NOUN
easat-10874	213	57	,	,	PUNCT
easat-10874	213	58	vol	vol	NOUN
easat-10874	213	59	.	.	PROPN
easat-10874	213	60	2	2	NUM
easat-10874	213	61	,	,	PUNCT
easat-10874	213	62	no	no	INTJ
easat-10874	213	63	.	.	NOUN
easat-10874	213	64	4	4	NUM
easat-10874	213	65	,	,	PUNCT
easat-10874	213	66	pp	pp	ADJ
easat-10874	213	67	.	.	PUNCT
easat-10874	214	1	166	166	NUM
easat-10874	214	2	-	-	SYM
easat-10874	214	3	173	173	NUM
easat-10874	214	4	,	,	PUNCT
easat-10874	214	5	2012	2012	NUM
easat-10874	214	6	.	.	PUNCT
easat-10874	215	1	https://doi.org/10.1016/j.stress.2023.100283	https://doi.org/10.1016/j.stress.2023.100283	PROPN
easat-10874	215	2	https://doi.org/10.3390/w13243551	https://doi.org/10.3390/w13243551	NUM
easat-10874	215	3	https://doi.org/10.1002/smtd.202401603	https://doi.org/10.1002/smtd.202401603	NOUN
easat-10874	215	4	https://doi.org/10.3233/thc-236042	https://doi.org/10.3233/thc-236042	NUM
easat-10874	215	5	https://doi.org/10.1021/acs.jcim.9b00457	https://doi.org/10.1021/acs.jcim.9b00457	NOUN
easat-10874	215	6	https://doi.org/10.1021/ol5012967	https://doi.org/10.1021/ol5012967	PRON