id	sid	tid	token	lemma	pos
gf06g160j9b	1	1	knowledge	knowledge	NOUN
gf06g160j9b	1	2	of	of	ADP
gf06g160j9b	1	3	conformational	conformational	ADJ
gf06g160j9b	1	4	changes	change	NOUN
gf06g160j9b	1	5	in	in	ADP
gf06g160j9b	1	6	biomolecules	biomolecule	NOUN
gf06g160j9b	1	7	are	be	AUX
gf06g160j9b	1	8	crucial	crucial	ADJ
gf06g160j9b	1	9	for	for	ADP
gf06g160j9b	1	10	understanding	understand	VERB
gf06g160j9b	1	11	diseases	disease	NOUN
gf06g160j9b	1	12	.	.	PUNCT
gf06g160j9b	2	1	research	research	NOUN
gf06g160j9b	2	2	in	in	ADP
gf06g160j9b	2	3	the	the	DET
gf06g160j9b	2	4	area	area	NOUN
gf06g160j9b	2	5	of	of	ADP
gf06g160j9b	2	6	computational	computational	ADJ
gf06g160j9b	2	7	biophysics	biophysic	NOUN
gf06g160j9b	2	8	has	have	AUX
gf06g160j9b	2	9	proven	prove	VERB
gf06g160j9b	2	10	to	to	PART
gf06g160j9b	2	11	be	be	AUX
gf06g160j9b	2	12	essential	essential	ADJ
gf06g160j9b	2	13	in	in	ADP
gf06g160j9b	2	14	this	this	DET
gf06g160j9b	2	15	regard	regard	NOUN
gf06g160j9b	2	16	,	,	PUNCT
gf06g160j9b	2	17	accelerating	accelerate	VERB
gf06g160j9b	2	18	the	the	DET
gf06g160j9b	2	19	development	development	NOUN
gf06g160j9b	2	20	of	of	ADP
gf06g160j9b	2	21	methods	method	NOUN
gf06g160j9b	2	22	for	for	ADP
gf06g160j9b	2	23	understanding	understand	VERB
gf06g160j9b	2	24	biomolecular	biomolecular	ADJ
gf06g160j9b	2	25	motion	motion	NOUN
gf06g160j9b	2	26	and	and	CCONJ
gf06g160j9b	2	27	its	its	PRON
gf06g160j9b	2	28	biological	biological	ADJ
gf06g160j9b	2	29	functions	function	NOUN
gf06g160j9b	2	30	.	.	PUNCT
gf06g160j9b	3	1	given	give	VERB
gf06g160j9b	3	2	the	the	DET
gf06g160j9b	3	3	endpoints	endpoint	NOUN
gf06g160j9b	3	4	of	of	ADP
gf06g160j9b	3	5	transition	transition	NOUN
gf06g160j9b	3	6	,	,	PUNCT
gf06g160j9b	3	7	path	path	NOUN
gf06g160j9b	3	8	sampling	sample	VERB
gf06g160j9b	3	9	algorithms	algorithm	NOUN
gf06g160j9b	3	10	find	find	VERB
gf06g160j9b	3	11	a	a	DET
gf06g160j9b	3	12	set	set	NOUN
gf06g160j9b	3	13	of	of	ADP
gf06g160j9b	3	14	reaction	reaction	NOUN
gf06g160j9b	3	15	path(s	path(s	PROPN
gf06g160j9b	3	16	)	)	PUNCT
gf06g160j9b	3	17	of	of	ADP
gf06g160j9b	3	18	interest	interest	NOUN
gf06g160j9b	3	19	.	.	PUNCT
gf06g160j9b	4	1	on	on	ADP
gf06g160j9b	4	2	-	-	PUNCT
gf06g160j9b	4	3	the	the	DET
gf06g160j9b	4	4	-	-	PUNCT
gf06g160j9b	4	5	fly	fly	NOUN
gf06g160j9b	4	6	string	string	NOUN
gf06g160j9b	4	7	method	method	NOUN
gf06g160j9b	4	8	is	be	AUX
gf06g160j9b	4	9	a	a	DET
gf06g160j9b	4	10	popular	popular	ADJ
gf06g160j9b	4	11	path	path	NOUN
gf06g160j9b	4	12	sampling	sample	VERB
gf06g160j9b	4	13	algorithm	algorithm	NOUN
gf06g160j9b	4	14	for	for	ADP
gf06g160j9b	4	15	finding	find	VERB
gf06g160j9b	4	16	the	the	DET
gf06g160j9b	4	17	most	most	ADV
gf06g160j9b	4	18	probable	probable	ADJ
gf06g160j9b	4	19	reaction	reaction	NOUN
gf06g160j9b	4	20	path	path	NOUN
gf06g160j9b	4	21	.	.	PUNCT
gf06g160j9b	5	1	finding	find	VERB
gf06g160j9b	5	2	reaction	reaction	NOUN
gf06g160j9b	5	3	paths	path	NOUN
gf06g160j9b	5	4	often	often	ADV
gf06g160j9b	5	5	require	require	VERB
gf06g160j9b	5	6	knowledge	knowledge	NOUN
gf06g160j9b	5	7	of	of	ADP
gf06g160j9b	5	8	a	a	DET
gf06g160j9b	5	9	set	set	NOUN
gf06g160j9b	5	10	of	of	ADP
gf06g160j9b	5	11	reaction	reaction	NOUN
gf06g160j9b	5	12	coordinates	coordinate	NOUN
gf06g160j9b	5	13	,	,	PUNCT
gf06g160j9b	5	14	or	or	CCONJ
gf06g160j9b	5	15	collective	collective	ADJ
gf06g160j9b	5	16	variables	variable	NOUN
gf06g160j9b	5	17	,	,	PUNCT
gf06g160j9b	5	18	along	along	ADP
gf06g160j9b	5	19	which	which	PRON
gf06g160j9b	5	20	the	the	DET
gf06g160j9b	5	21	transition	transition	NOUN
gf06g160j9b	5	22	takes	take	VERB
gf06g160j9b	5	23	place	place	NOUN
gf06g160j9b	5	24	,	,	PUNCT
gf06g160j9b	5	25	which	which	PRON
gf06g160j9b	5	26	is	be	AUX
gf06g160j9b	5	27	non	non	ADJ
gf06g160j9b	5	28	-	-	ADJ
gf06g160j9b	5	29	trivial	trivial	ADJ
gf06g160j9b	5	30	.	.	PUNCT
gf06g160j9b	6	1	in	in	ADP
gf06g160j9b	6	2	this	this	DET
gf06g160j9b	6	3	work	work	NOUN
gf06g160j9b	6	4	,	,	PUNCT
gf06g160j9b	6	5	i	i	PRON
gf06g160j9b	6	6	propose	propose	VERB
gf06g160j9b	6	7	the	the	DET
gf06g160j9b	6	8	use	use	NOUN
gf06g160j9b	6	9	of	of	ADP
gf06g160j9b	6	10	low	low	ADJ
gf06g160j9b	6	11	frequency	frequency	ADJ
gf06g160j9b	6	12	normal	normal	ADJ
gf06g160j9b	6	13	modes	mode	NOUN
gf06g160j9b	6	14	as	as	ADP
gf06g160j9b	6	15	reaction	reaction	NOUN
gf06g160j9b	6	16	coordinates	coordinate	NOUN
gf06g160j9b	6	17	.	.	PUNCT
gf06g160j9b	7	1	this	this	DET
gf06g160j9b	7	2	choice	choice	NOUN
gf06g160j9b	7	3	is	be	AUX
gf06g160j9b	7	4	based	base	VERB
gf06g160j9b	7	5	on	on	ADP
gf06g160j9b	7	6	the	the	DET
gf06g160j9b	7	7	observation	observation	NOUN
gf06g160j9b	7	8	that	that	SCONJ
gf06g160j9b	7	9	normal	normal	ADJ
gf06g160j9b	7	10	mode	mode	NOUN
gf06g160j9b	7	11	analysis	analysis	NOUN
gf06g160j9b	7	12	can	can	AUX
gf06g160j9b	7	13	provide	provide	VERB
gf06g160j9b	7	14	the	the	DET
gf06g160j9b	7	15	direction	direction	NOUN
gf06g160j9b	7	16	of	of	ADP
gf06g160j9b	7	17	the	the	DET
gf06g160j9b	7	18	low	low	ADJ
gf06g160j9b	7	19	frequency	frequency	NOUN
gf06g160j9b	7	20	motion	motion	NOUN
gf06g160j9b	7	21	of	of	ADP
gf06g160j9b	7	22	interest	interest	NOUN
gf06g160j9b	7	23	.	.	PUNCT
gf06g160j9b	8	1	as	as	ADP
gf06g160j9b	8	2	a	a	DET
gf06g160j9b	8	3	proof	proof	NOUN
gf06g160j9b	8	4	of	of	ADP
gf06g160j9b	8	5	concept	concept	NOUN
gf06g160j9b	8	6	,	,	PUNCT
gf06g160j9b	8	7	i	i	PRON
gf06g160j9b	8	8	applied	apply	VERB
gf06g160j9b	8	9	this	this	DET
gf06g160j9b	8	10	method	method	NOUN
gf06g160j9b	8	11	to	to	PART
gf06g160j9b	8	12	study	study	VERB
gf06g160j9b	8	13	isomerization	isomerization	NOUN
gf06g160j9b	8	14	transitions	transition	NOUN
gf06g160j9b	8	15	of	of	ADP
gf06g160j9b	8	16	alanine	alanine	NOUN
gf06g160j9b	8	17	dipeptide	dipeptide	NOUN
gf06g160j9b	8	18	.	.	PUNCT
gf06g160j9b	9	1	the	the	DET
gf06g160j9b	9	2	algorithms	algorithm	NOUN
gf06g160j9b	9	3	i	i	PRON
gf06g160j9b	9	4	developed	develop	VERB
gf06g160j9b	9	5	are	be	AUX
gf06g160j9b	9	6	general	general	ADJ
gf06g160j9b	9	7	and	and	CCONJ
gf06g160j9b	9	8	can	can	AUX
gf06g160j9b	9	9	be	be	AUX
gf06g160j9b	9	10	readily	readily	ADV
gf06g160j9b	9	11	applied	apply	VERB
gf06g160j9b	9	12	to	to	ADP
gf06g160j9b	9	13	larger	large	ADJ
gf06g160j9b	9	14	systems	system	NOUN
gf06g160j9b	9	15	.	.	PUNCT
gf06g160j9b	10	1	i	i	PRON
gf06g160j9b	10	2	also	also	ADV
gf06g160j9b	10	3	show	show	VERB
gf06g160j9b	10	4	that	that	SCONJ
gf06g160j9b	10	5	the	the	DET
gf06g160j9b	10	6	choice	choice	NOUN
gf06g160j9b	10	7	of	of	ADP
gf06g160j9b	10	8	the	the	DET
gf06g160j9b	10	9	normal	normal	ADJ
gf06g160j9b	10	10	modes	mode	NOUN
gf06g160j9b	10	11	confers	confer	VERB
gf06g160j9b	10	12	simplifications	simplification	NOUN
gf06g160j9b	10	13	in	in	ADP
gf06g160j9b	10	14	the	the	DET
gf06g160j9b	10	15	string	string	NOUN
gf06g160j9b	10	16	method	method	NOUN
gf06g160j9b	10	17	itself	itself	PRON
gf06g160j9b	10	18	.	.	PUNCT
gf06g160j9b	11	1	biomolecular	biomolecular	ADJ
gf06g160j9b	11	2	conformational	conformational	ADJ
gf06g160j9b	11	3	changes	change	NOUN
gf06g160j9b	11	4	of	of	ADP
gf06g160j9b	11	5	biological	biological	ADJ
gf06g160j9b	11	6	relevance	relevance	NOUN
gf06g160j9b	11	7	take	take	VERB
gf06g160j9b	11	8	place	place	NOUN
gf06g160j9b	11	9	in	in	ADP
gf06g160j9b	11	10	the	the	DET
gf06g160j9b	11	11	timescale	timescale	NOUN
gf06g160j9b	11	12	of	of	ADP
gf06g160j9b	11	13	milliseconds	millisecond	NOUN
gf06g160j9b	11	14	to	to	ADP
gf06g160j9b	11	15	seconds	second	NOUN
gf06g160j9b	11	16	.	.	PUNCT
gf06g160j9b	12	1	conventional	conventional	ADJ
gf06g160j9b	12	2	molecular	molecular	ADJ
gf06g160j9b	12	3	dynamics	dynamic	NOUN
gf06g160j9b	12	4	(	(	PUNCT
gf06g160j9b	12	5	md	md	PROPN
gf06g160j9b	12	6	)	)	PUNCT
gf06g160j9b	12	7	simulations	simulation	NOUN
gf06g160j9b	12	8	can	can	AUX
gf06g160j9b	12	9	only	only	ADV
gf06g160j9b	12	10	capture	capture	VERB
gf06g160j9b	12	11	timescale	timescale	NOUN
gf06g160j9b	12	12	of	of	ADP
gf06g160j9b	12	13	microseconds	microsecond	NOUN
gf06g160j9b	12	14	.	.	PUNCT
gf06g160j9b	13	1	over	over	ADP
gf06g160j9b	13	2	the	the	DET
gf06g160j9b	13	3	last	last	ADJ
gf06g160j9b	13	4	decade	decade	NOUN
gf06g160j9b	13	5	,	,	PUNCT
gf06g160j9b	13	6	various	various	ADJ
gf06g160j9b	13	7	attempts	attempt	NOUN
gf06g160j9b	13	8	has	have	AUX
gf06g160j9b	13	9	been	be	AUX
gf06g160j9b	13	10	made	make	VERB
gf06g160j9b	13	11	to	to	PART
gf06g160j9b	13	12	overcome	overcome	VERB
gf06g160j9b	13	13	the	the	DET
gf06g160j9b	13	14	limitations	limitation	NOUN
gf06g160j9b	13	15	of	of	ADP
gf06g160j9b	13	16	md	md	PROPN
gf06g160j9b	13	17	with	with	ADP
gf06g160j9b	13	18	smart	smart	ADJ
gf06g160j9b	13	19	sampling	sampling	NOUN
gf06g160j9b	13	20	algorithms	algorithm	NOUN
gf06g160j9b	13	21	.	.	PUNCT
gf06g160j9b	14	1	some	some	PRON
gf06g160j9b	14	2	or	or	CCONJ
gf06g160j9b	14	3	all	all	PRON
gf06g160j9b	14	4	of	of	ADP
gf06g160j9b	14	5	these	these	DET
gf06g160j9b	14	6	algorithms	algorithm	NOUN
gf06g160j9b	14	7	also	also	ADV
gf06g160j9b	14	8	try	try	VERB
gf06g160j9b	14	9	to	to	PART
gf06g160j9b	14	10	exploit	exploit	VERB
gf06g160j9b	14	11	large	large	ADJ
gf06g160j9b	14	12	-	-	PUNCT
gf06g160j9b	14	13	scale	scale	NOUN
gf06g160j9b	14	14	distributed	distribute	VERB
gf06g160j9b	14	15	computing	compute	VERB
gf06g160j9b	14	16	environments	environment	NOUN
gf06g160j9b	14	17	.	.	PUNCT
gf06g160j9b	15	1	often	often	ADV
gf06g160j9b	15	2	,	,	PUNCT
gf06g160j9b	15	3	it	it	PRON
gf06g160j9b	15	4	is	be	AUX
gf06g160j9b	15	5	not	not	PART
gf06g160j9b	15	6	essential	essential	ADJ
gf06g160j9b	15	7	to	to	PART
gf06g160j9b	15	8	understand	understand	VERB
gf06g160j9b	15	9	structural	structural	ADJ
gf06g160j9b	15	10	changes	change	NOUN
gf06g160j9b	15	11	in	in	ADP
gf06g160j9b	15	12	atomistic	atomistic	ADJ
gf06g160j9b	15	13	detail	detail	NOUN
gf06g160j9b	15	14	.	.	PUNCT
gf06g160j9b	16	1	attempts	attempt	NOUN
gf06g160j9b	16	2	has	have	AUX
gf06g160j9b	16	3	been	be	AUX
gf06g160j9b	16	4	made	make	VERB
gf06g160j9b	16	5	to	to	PART
gf06g160j9b	16	6	capture	capture	VERB
gf06g160j9b	16	7	transitions	transition	NOUN
gf06g160j9b	16	8	of	of	ADP
gf06g160j9b	16	9	interest	interest	NOUN
gf06g160j9b	16	10	without	without	ADP
gf06g160j9b	16	11	getting	getting	AUX
gf06g160j9b	16	12	stuck	stick	VERB
gf06g160j9b	16	13	with	with	ADP
gf06g160j9b	16	14	the	the	DET
gf06g160j9b	16	15	computational	computational	ADJ
gf06g160j9b	16	16	complexity	complexity	NOUN
gf06g160j9b	16	17	associated	associate	VERB
gf06g160j9b	16	18	with	with	ADP
gf06g160j9b	16	19	fine	fine	ADV
gf06g160j9b	16	20	-	-	PUNCT
gf06g160j9b	16	21	grained	grain	VERB
gf06g160j9b	16	22	simulations	simulation	NOUN
gf06g160j9b	16	23	.	.	PUNCT
gf06g160j9b	17	1	the	the	DET
gf06g160j9b	17	2	main	main	ADJ
gf06g160j9b	17	3	theme	theme	NOUN
gf06g160j9b	17	4	of	of	ADP
gf06g160j9b	17	5	the	the	DET
gf06g160j9b	17	6	coarse	coarse	ADV
gf06g160j9b	17	7	-	-	PUNCT
gf06g160j9b	17	8	grained	grain	VERB
gf06g160j9b	17	9	algorithms	algorithm	NOUN
gf06g160j9b	17	10	lie	lie	VERB
gf06g160j9b	17	11	in	in	ADP
gf06g160j9b	17	12	the	the	DET
gf06g160j9b	17	13	attempt	attempt	NOUN
gf06g160j9b	17	14	to	to	PART
gf06g160j9b	17	15	capture	capture	VERB
gf06g160j9b	17	16	relevant	relevant	ADJ
gf06g160j9b	17	17	degrees	degree	NOUN
gf06g160j9b	17	18	of	of	ADP
gf06g160j9b	17	19	freedom	freedom	NOUN
gf06g160j9b	17	20	along	along	ADP
gf06g160j9b	17	21	which	which	PRON
gf06g160j9b	17	22	important	important	ADJ
gf06g160j9b	17	23	conformational	conformational	ADJ
gf06g160j9b	17	24	changes	change	NOUN
gf06g160j9b	17	25	take	take	VERB
gf06g160j9b	17	26	place	place	NOUN
gf06g160j9b	17	27	.	.	PUNCT
gf06g160j9b	18	1	normal	normal	ADJ
gf06g160j9b	18	2	mode	mode	NOUN
gf06g160j9b	18	3	langevin	langevin	NOUN
gf06g160j9b	18	4	(	(	PUNCT
gf06g160j9b	18	5	nml	nml	PROPN
gf06g160j9b	18	6	)	)	PUNCT
gf06g160j9b	18	7	is	be	AUX
gf06g160j9b	18	8	a	a	DET
gf06g160j9b	18	9	recently	recently	ADV
gf06g160j9b	18	10	developed	develop	VERB
gf06g160j9b	18	11	coarse	coarse	ADJ
gf06g160j9b	18	12	-	-	PUNCT
gf06g160j9b	18	13	grained	grain	VERB
gf06g160j9b	18	14	integrator	integrator	NOUN
gf06g160j9b	18	15	which	which	PRON
gf06g160j9b	18	16	is	be	AUX
gf06g160j9b	18	17	based	base	VERB
gf06g160j9b	18	18	on	on	ADP
gf06g160j9b	18	19	this	this	DET
gf06g160j9b	18	20	idea	idea	NOUN
gf06g160j9b	18	21	.	.	PUNCT
gf06g160j9b	19	1	replica	replica	PROPN
gf06g160j9b	19	2	exchange	exchange	PROPN
gf06g160j9b	19	3	method	method	PROPN
gf06g160j9b	19	4	(	(	PUNCT
gf06g160j9b	19	5	rem	rem	X
gf06g160j9b	19	6	)	)	PUNCT
gf06g160j9b	19	7	is	be	AUX
gf06g160j9b	19	8	an	an	DET
gf06g160j9b	19	9	efficient	efficient	ADJ
gf06g160j9b	19	10	algorithm	algorithm	NOUN
gf06g160j9b	19	11	which	which	PRON
gf06g160j9b	19	12	utilizes	utilize	VERB
gf06g160j9b	19	13	multiple	multiple	ADJ
gf06g160j9b	19	14	simulations	simulation	NOUN
gf06g160j9b	19	15	(	(	PUNCT
gf06g160j9b	19	16	replica	replica	NOUN
gf06g160j9b	19	17	)	)	PUNCT
gf06g160j9b	19	18	in	in	ADP
gf06g160j9b	19	19	parallel	parallel	NOUN
gf06g160j9b	19	20	to	to	PART
gf06g160j9b	19	21	accelerate	accelerate	VERB
gf06g160j9b	19	22	sampling	sampling	NOUN
gf06g160j9b	19	23	.	.	PUNCT
gf06g160j9b	20	1	in	in	ADP
gf06g160j9b	20	2	this	this	DET
gf06g160j9b	20	3	dissertation	dissertation	NOUN
gf06g160j9b	20	4	,	,	PUNCT
gf06g160j9b	20	5	i	i	PRON
gf06g160j9b	20	6	will	will	AUX
gf06g160j9b	20	7	present	present	VERB
gf06g160j9b	20	8	results	result	NOUN
gf06g160j9b	20	9	showing	show	VERB
gf06g160j9b	20	10	evidence	evidence	NOUN
gf06g160j9b	20	11	that	that	SCONJ
gf06g160j9b	20	12	incorporating	incorporate	VERB
gf06g160j9b	20	13	nml	nml	NOUN
gf06g160j9b	20	14	with	with	ADP
gf06g160j9b	20	15	rem	rem	PROPN
gf06g160j9b	20	16	can	can	AUX
gf06g160j9b	20	17	improve	improve	VERB
gf06g160j9b	20	18	its	its	PRON
gf06g160j9b	20	19	scalability	scalability	NOUN
gf06g160j9b	20	20	for	for	ADP
gf06g160j9b	20	21	large	large	ADJ
gf06g160j9b	20	22	biomolecular	biomolecular	ADJ
gf06g160j9b	20	23	systems	system	NOUN
gf06g160j9b	20	24	.	.	PUNCT