id	sid	eid	entity	type
eurjchem-2413	1	1	european journal of chemistry	ORG
eurjchem-2413	1	2	14	CARDINAL
eurjchem-2413	1	3	2	CARDINAL
eurjchem-2413	1	4	2023	CARDINAL
eurjchem-2413	1	5	231	CARDINAL
eurjchem-2413	1	6	2153-2249	CARDINAL
eurjchem-2413	1	7	2153-2257	CARDINAL
eurjchem-2413	2	1	2023	CARDINAL
eurjchem-2413	2	2	atlanta	GPE
eurjchem-2413	2	3	llc	GPE
eurjchem-2413	3	1	atlanta publishing house	ORG
eurjchem-2413	3	2	nc	GPE
eurjchem-2413	4	1	https://dx.doi.org/10.5155/eurjchem.14.2.231-245.2413 european journal of chemistry view journal online view article	ORG
eurjchem-2413	4	2	kaushik sarkar	ORG
eurjchem-2413	4	3	rajesh kumar das * department	PERSON
eurjchem-2413	4	4	university of north bengal	ORG
eurjchem-2413	4	5	darjeeling	GPE
eurjchem-2413	4	6	734013	DATE
eurjchem-2413	4	7	india	GPE
eurjchem-2413	4	8	university of north bengal	ORG
eurjchem-2413	4	9	darjeeling	GPE
eurjchem-2413	4	10	734013	DATE
eurjchem-2413	4	11	india	GPE
eurjchem-2413	5	1	r.k. das	PERSON
eurjchem-2413	6	1	10.5155/eurjchem.14.2.231-245.2413	CARDINAL
eurjchem-2413	6	2	27	CARDINAL
eurjchem-2413	6	3	2022	CARDINAL
eurjchem-2413	6	4	03 february 2023	CARDINAL
eurjchem-2413	6	5	21	CARDINAL
eurjchem-2413	6	6	2023	CARDINAL
eurjchem-2413	6	7	30	CARDINAL
eurjchem-2413	6	8	2023	CARDINAL
eurjchem-2413	6	9	30	CARDINAL
eurjchem-2413	6	10	2023	CARDINAL
eurjchem-2413	7	1	2	CARDINAL
eurjchem-2413	9	1	51	CARDINAL
eurjchem-2413	11	1	two	CARDINAL
eurjchem-2413	11	2	minhbint4	PERSON
eurjchem-2413	13	1	0.9328	MONEY
eurjchem-2413	13	2	0.9212	CARDINAL
eurjchem-2413	13	3	0.9187	CARDINAL
eurjchem-2413	13	4	0.929	CARDINAL
eurjchem-2413	16	1	three	CARDINAL
eurjchem-2413	16	2	100	CARDINAL
eurjchem-2413	17	1	dft	ORG
eurjchem-2413	19	1	dft qsarins mm-pbsa adme	PERSON
eurjchem-2413	20	1	j. chem	PERSON
eurjchem-2413	21	1	2023	CARDINAL
eurjchem-2413	21	2	231-245	CARDINAL
eurjchem-2413	21	3	1	CARDINAL
eurjchem-2413	21	4	1	CARDINAL
eurjchem-2413	22	1	2,3	CARDINAL
eurjchem-2413	24	1	4	CARDINAL
eurjchem-2413	25	1	5	CARDINAL
eurjchem-2413	26	1	6	CARDINAL
eurjchem-2413	27	1	sam	PERSON
eurjchem-2413	28	1	kmt	ORG
eurjchem-2413	28	2	11	CARDINAL
eurjchem-2413	29	1	2	CARDINAL
eurjchem-2413	29	2	lysine-27	DATE
eurjchem-2413	29	3	sam 5	PERSON
eurjchem-2413	30	1	lysine-27	DATE
eurjchem-2413	30	2	12	CARDINAL
eurjchem-2413	31	1	11	CARDINAL
eurjchem-2413	32	1	13	CARDINAL
eurjchem-2413	35	1	sclc	GPE
eurjchem-2413	37	1	keywords https://dx.doi.org/10.5155/eurjchem.14.2.231-245.2413 https://www.eurjchem.com/ https://dx.doi.org/10.5155/eurjchem.14.2.231-245.2413 mailto:rajeshnbu@gmail.com http://www.eurjchem.com/	ORG
eurjchem-2413	37	2	232	CARDINAL
eurjchem-2413	37	3	14	CARDINAL
eurjchem-2413	37	4	2	CARDINAL
eurjchem-2413	37	5	2023	CARDINAL
eurjchem-2413	37	6	231-245 2023	QUANTITY
eurjchem-2413	37	7	european journal of chemistry	ORG
eurjchem-2413	37	8	nc	GPE
eurjchem-2413	37	9	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	37	10	1	CARDINAL
eurjchem-2413	39	1	1	CARDINAL
eurjchem-2413	41	1	14,15	CARDINAL
eurjchem-2413	45	1	16	CARDINAL
eurjchem-2413	46	1	17,18	CARDINAL
eurjchem-2413	47	1	19	CARDINAL
eurjchem-2413	48	1	benzofuran	PERSON
eurjchem-2413	48	2	20	CARDINAL
eurjchem-2413	50	1	leukemia1	ORG
eurjchem-2413	50	2	moloney murine	ORG
eurjchem-2413	50	3	2	CARDINAL
eurjchem-2413	51	1	19	CARDINAL
eurjchem-2413	52	1	20	CARDINAL
eurjchem-2413	53	1	three	CARDINAL
eurjchem-2413	53	2	md	GPE
eurjchem-2413	55	1	1	CARDINAL
eurjchem-2413	55	2	2	CARDINAL
eurjchem-2413	55	3	2.1	CARDINAL
eurjchem-2413	56	1	51	CARDINAL
eurjchem-2413	57	1	1-3	CARDINAL
eurjchem-2413	57	2	9	CARDINAL
eurjchem-2413	58	1	ic50	ORG
eurjchem-2413	58	2	50%	PERCENT
eurjchem-2413	59	1	2.2	CARDINAL
eurjchem-2413	60	1	2.18	CARDINAL
eurjchem-2413	60	2	21	CARDINAL
eurjchem-2413	61	1	chun wei yap	PERSON
eurjchem-2413	61	2	the national university of singapore	ORG
eurjchem-2413	61	3	more than 1875	CARDINAL
eurjchem-2413	62	1	1d-3d	CARDINAL
eurjchem-2413	63	1	3d	CARDINAL
eurjchem-2413	64	1	22	CARDINAL
eurjchem-2413	65	1	2.3	CARDINAL
eurjchem-2413	66	1	23	CARDINAL
eurjchem-2413	67	1	1	CARDINAL
eurjchem-2413	67	2	𝑌𝑌𝑖𝑖	CARDINAL
eurjchem-2413	68	1	𝑏𝑏𝑗𝑗𝑋𝑋𝑖𝑖𝑗𝑗	ORG
eurjchem-2413	68	2	1	CARDINAL
eurjchem-2413	71	1	one	CARDINAL
eurjchem-2413	72	1	sarkar et al	PERSON
eurjchem-2413	72	2	14	CARDINAL
eurjchem-2413	72	3	2	CARDINAL
eurjchem-2413	72	4	2023	CARDINAL
eurjchem-2413	72	5	231	CARDINAL
eurjchem-2413	72	6	2023	CARDINAL
eurjchem-2413	72	7	european journal of chemistry	ORG
eurjchem-2413	72	8	nc	GPE
eurjchem-2413	72	9	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	72	10	1	CARDINAL
eurjchem-2413	72	11	ic50	ORG
eurjchem-2413	73	1	r1 h n o h	ORG
eurjchem-2413	75	1	0.8 h4 methoxy methyl et nns	QUANTITY
eurjchem-2413	76	1	0.9 h5 methoxy	QUANTITY
eurjchem-2413	77	1	1.2 h6	QUANTITY
eurjchem-2413	78	1	1.7 h7 methoxy methyl et	QUANTITY
eurjchem-2413	80	1	2.3	CARDINAL
eurjchem-2413	81	1	2.7	CARDINAL
eurjchem-2413	82	1	2.7 h10 methoxy	QUANTITY
eurjchem-2413	83	1	2.7 h11 methoxy methyl et	QUANTITY
eurjchem-2413	84	1	2.8	CARDINAL
eurjchem-2413	84	2	2.8 h13 methoxy methyl	QUANTITY
eurjchem-2413	85	1	2.9 h14 methoxy	QUANTITY
eurjchem-2413	86	1	2.9 h15 methoxy methyl et	QUANTITY
eurjchem-2413	87	1	2.9 h16 methoxy methyl et nns o	QUANTITY
eurjchem-2413	88	1	3.2 h17 methoxy methyl et n(h3c)2n	QUANTITY
eurjchem-2413	88	2	3.4	CARDINAL
eurjchem-2413	89	1	3.5 h19 methoxy ethyl	QUANTITY
eurjchem-2413	90	1	3.5 h20 methyl ethyl	QUANTITY
eurjchem-2413	99	1	4 234	CARDINAL
eurjchem-2413	99	2	14	CARDINAL
eurjchem-2413	99	3	2	CARDINAL
eurjchem-2413	99	4	2023	CARDINAL
eurjchem-2413	99	5	231-245 2023	QUANTITY
eurjchem-2413	99	6	european journal of chemistry	ORG
eurjchem-2413	99	7	nc	GPE
eurjchem-2413	99	8	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	99	9	1	CARDINAL
eurjchem-2413	100	1	r1 h n o h	ORG
eurjchem-2413	101	1	h24 methoxy ethyl et	QUANTITY
eurjchem-2413	103	1	4.5	CARDINAL
eurjchem-2413	104	1	4.8	CARDINAL
eurjchem-2413	105	1	5.6 h27 methyl	QUANTITY
eurjchem-2413	107	1	5.6 h28 methyl ethyl	QUANTITY
eurjchem-2413	108	1	5.7 h29 methyl	QUANTITY
eurjchem-2413	109	1	5.7 h30	QUANTITY
eurjchem-2413	110	1	5.9	CARDINAL
eurjchem-2413	113	1	6.8 h35 methoxy	TIME
eurjchem-2413	114	1	7.8 h36 methyl	QUANTITY
eurjchem-2413	115	1	9.6 h37	QUANTITY
eurjchem-2413	116	1	9.9	CARDINAL
eurjchem-2413	118	1	14 h40 methoxy methyl et	QUANTITY
eurjchem-2413	120	1	24	CARDINAL
eurjchem-2413	121	1	2.4	CARDINAL
eurjchem-2413	121	2	oecd	ORG
eurjchem-2413	122	1	recent years	DATE
eurjchem-2413	123	1	five	CARDINAL
eurjchem-2413	123	2	oecd	ORG
eurjchem-2413	123	3	24	CARDINAL
eurjchem-2413	124	1	sarkar et al	PERSON
eurjchem-2413	124	2	14	CARDINAL
eurjchem-2413	124	3	2	CARDINAL
eurjchem-2413	124	4	2023	CARDINAL
eurjchem-2413	124	5	231	CARDINAL
eurjchem-2413	124	6	european journal of chemistry	ORG
eurjchem-2413	124	7	nc	GPE
eurjchem-2413	124	8	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	124	9	2	CARDINAL
eurjchem-2413	124	10	ic50	ORG
eurjchem-2413	125	1	s h n	ORG
eurjchem-2413	126	1	r2 ic50	PERSON
eurjchem-2413	126	2	0.059	CARDINAL
eurjchem-2413	127	1	0.100	CARDINAL
eurjchem-2413	130	1	0.140	CARDINAL
eurjchem-2413	130	2	o	DATE
eurjchem-2413	131	1	0.180	CARDINAL
eurjchem-2413	131	2	0.180	CARDINAL
eurjchem-2413	131	3	3	CARDINAL
eurjchem-2413	131	4	ic50	ORG
eurjchem-2413	132	1	s h n	ORG
eurjchem-2413	135	1	0.057	CARDINAL
eurjchem-2413	135	2	o	DATE
eurjchem-2413	135	3	0.060 h50	MONEY
eurjchem-2413	137	1	24	CARDINAL
eurjchem-2413	138	1	50%	PERCENT
eurjchem-2413	138	2	ic50	ORG
eurjchem-2413	139	1	24	CARDINAL
eurjchem-2413	143	1	24	CARDINAL
eurjchem-2413	144	1	236	CARDINAL
eurjchem-2413	144	2	sarkar et al	PERSON
eurjchem-2413	144	3	14	CARDINAL
eurjchem-2413	144	4	2	CARDINAL
eurjchem-2413	144	5	2023	CARDINAL
eurjchem-2413	144	6	231-245 2023	QUANTITY
eurjchem-2413	144	7	european journal of chemistry	ORG
eurjchem-2413	144	8	nc	GPE
eurjchem-2413	144	9	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	155	1	nh2	PRODUCT
eurjchem-2413	155	2	n h o n nh h53bb	ORG
eurjchem-2413	158	1	2	CARDINAL
eurjchem-2413	160	1	two	CARDINAL
eurjchem-2413	160	2	qsarins	PERSON
eurjchem-2413	161	1	first	ORDINAL
eurjchem-2413	161	2	williams	PERSON
eurjchem-2413	161	3	±3	PRODUCT
eurjchem-2413	162	1	second	ORDINAL
eurjchem-2413	164	1	24	CARDINAL
eurjchem-2413	167	1	one	CARDINAL
eurjchem-2413	167	2	qsar	GPE
eurjchem-2413	169	1	24	CARDINAL
eurjchem-2413	173	1	q2f1	GPE
eurjchem-2413	173	2	ccc	PERSON
eurjchem-2413	175	1	2.5	CARDINAL
eurjchem-2413	177	1	adt	ORG
eurjchem-2413	178	1	25	CARDINAL
eurjchem-2413	180	1	three	CARDINAL
eurjchem-2413	180	2	2	CARDINAL
eurjchem-2413	185	1	60×60×60 xyz	QUANTITY
eurjchem-2413	185	2	0.375	CARDINAL
eurjchem-2413	185	3	13.862	CARDINAL
eurjchem-2413	185	4	49.626	CARDINAL
eurjchem-2413	187	1	autodock vina	PERSON
eurjchem-2413	187	2	26	CARDINAL
eurjchem-2413	190	1	2.6	CARDINAL
eurjchem-2413	194	1	three	CARDINAL
eurjchem-2413	195	1	2	CARDINAL
eurjchem-2413	195	2	2.7	CARDINAL
eurjchem-2413	196	1	md	GPE
eurjchem-2413	196	2	md simulation	GPE
eurjchem-2413	196	3	h53y	GPE
eurjchem-2413	196	4	5.1	CARDINAL
eurjchem-2413	197	1	27	CARDINAL
eurjchem-2413	197	2	28	CARDINAL
eurjchem-2413	199	1	310	CARDINAL
eurjchem-2413	199	2	1	CARDINAL
eurjchem-2413	200	1	22	CARDINAL
eurjchem-2413	201	1	29,30	CARDINAL
eurjchem-2413	202	1	two	CARDINAL
eurjchem-2413	202	2	nvt	ORG
eurjchem-2413	202	3	npt	ORG
eurjchem-2413	203	1	1000	CARDINAL
eurjchem-2413	203	2	https://www.rcsb.org/ sarkar et al	PERSON
eurjchem-2413	203	3	14	CARDINAL
eurjchem-2413	203	4	2	CARDINAL
eurjchem-2413	203	5	2023	CARDINAL
eurjchem-2413	203	6	231	CARDINAL
eurjchem-2413	203	7	2023	CARDINAL
eurjchem-2413	203	8	european journal of chemistry	ORG
eurjchem-2413	203	9	nc	GPE
eurjchem-2413	203	10	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	204	1	two	CARDINAL
eurjchem-2413	205	1	npt equilibration	ORG
eurjchem-2413	206	1	100	CARDINAL
eurjchem-2413	206	2	ns md	GPE
eurjchem-2413	207	1	2.8	CARDINAL
eurjchem-2413	208	1	poisson boltzmann surface area	PERSON
eurjchem-2413	208	2	31,32	CARDINAL
eurjchem-2413	209	1	2	CARDINAL
eurjchem-2413	210	1	2	CARDINAL
eurjchem-2413	210	2	gcomplex	ORG
eurjchem-2413	212	1	sasa	NORP
eurjchem-2413	212	2	van der waals	PERSON
eurjchem-2413	213	1	2.9	CARDINAL
eurjchem-2413	215	1	33	CARDINAL
eurjchem-2413	216	1	2.10	CARDINAL
eurjchem-2413	217	1	dft	ORG
eurjchem-2413	217	2	34	CARDINAL
eurjchem-2413	217	3	6.0	CARDINAL
eurjchem-2413	217	4	35	CARDINAL
eurjchem-2413	218	1	dft	ORG
eurjchem-2413	218	2	three	CARDINAL
eurjchem-2413	218	3	6-311++g(d	CARDINAL
eurjchem-2413	218	4	36	CARDINAL
eurjchem-2413	219	1	dft	ORG
eurjchem-2413	221	1	3	CARDINAL
eurjchem-2413	221	2	4	CARDINAL
eurjchem-2413	221	3	1 2	CARDINAL
eurjchem-2413	221	4	5	CARDINAL
eurjchem-2413	221	5	1 2	CARDINAL
eurjchem-2413	221	6	6	CARDINAL
eurjchem-2413	221	7	1 η	QUANTITY
eurjchem-2413	221	8	8) ω	CARDINAL
eurjchem-2413	222	1	2η	CARDINAL
eurjchem-2413	222	2	9	CARDINAL
eurjchem-2413	222	3	3	CARDINAL
eurjchem-2413	222	4	3.1	CARDINAL
eurjchem-2413	222	5	thousands	CARDINAL
eurjchem-2413	225	1	10.2512	CARDINAL
eurjchem-2413	227	1	10	CARDINAL
eurjchem-2413	227	2	0.9328	CARDINAL
eurjchem-2413	227	3	0.930	CARDINAL
eurjchem-2413	227	4	0.0034	CARDINAL
eurjchem-2413	227	5	0.0467	CARDINAL
eurjchem-2413	227	6	0.4597	CARDINAL
eurjchem-2413	227	7	0.0903	CARDINAL
eurjchem-2413	227	8	0.196	CARDINAL
eurjchem-2413	227	9	0.1557	CARDINAL
eurjchem-2413	227	10	1.6521	CARDINAL
eurjchem-2413	227	11	0.9652	CARDINAL
eurjchem-2413	227	12	277.734	CARDINAL
eurjchem-2413	228	1	0.9212	CARDINAL
eurjchem-2413	228	2	0.0117	CARDINAL
eurjchem-2413	228	3	0.2124	CARDINAL
eurjchem-2413	229	1	0.1683	CARDINAL
eurjchem-2413	229	2	1.939	CARDINAL
eurjchem-2413	229	3	0.9592	CARDINAL
eurjchem-2413	229	4	0.9187	CARDINAL
eurjchem-2413	229	5	0.0471	CARDINAL
eurjchem-2413	229	6	0.2191	ORG
eurjchem-2413	229	7	0.1978	CARDINAL
eurjchem-2413	229	8	0.384	CARDINAL
eurjchem-2413	229	9	0.929	CARDINAL
eurjchem-2413	229	10	0.9302	CARDINAL
eurjchem-2413	229	11	0.9249	CARDINAL
eurjchem-2413	229	12	0.9161	CARDINAL
eurjchem-2413	229	13	0.9612	CARDINAL
eurjchem-2413	229	14	friedman	ORG
eurjchem-2413	230	1	delta k	FAC
eurjchem-2413	231	1	fisher	ORG
eurjchem-2413	232	1	0.9328	CARDINAL
eurjchem-2413	233	1	0.930	CARDINAL
eurjchem-2413	234	1	0.0467	CARDINAL
eurjchem-2413	234	2	two	CARDINAL
eurjchem-2413	235	1	0.4597	CARDINAL
eurjchem-2413	236	1	0.0903	CARDINAL
eurjchem-2413	236	2	0.196	CARDINAL
eurjchem-2413	236	3	0.1557	CARDINAL
eurjchem-2413	237	1	3	CARDINAL
eurjchem-2413	240	1	3.2	CARDINAL
eurjchem-2413	241	1	oecd	ORG
eurjchem-2413	241	2	first	ORDINAL
eurjchem-2413	242	1	238	CARDINAL
eurjchem-2413	242	2	14	CARDINAL
eurjchem-2413	242	3	2	CARDINAL
eurjchem-2413	242	4	2023	CARDINAL
eurjchem-2413	242	5	231-245 2023	QUANTITY
eurjchem-2413	242	6	european journal of chemistry	ORG
eurjchem-2413	242	7	nc	GPE
eurjchem-2413	242	8	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	242	9	3	CARDINAL
eurjchem-2413	244	1	4	CARDINAL
eurjchem-2413	245	1	williams	PERSON
eurjchem-2413	246	1	oecd	ORG
eurjchem-2413	247	1	oecd	ORG
eurjchem-2413	249	1	24	CARDINAL
eurjchem-2413	251	1	williams	PERSON
eurjchem-2413	251	2	4	CARDINAL
eurjchem-2413	252	1	0.209	CARDINAL
eurjchem-2413	255	1	williams	PERSON
eurjchem-2413	259	1	0.9212	CARDINAL
eurjchem-2413	260	1	0.9212	CARDINAL
eurjchem-2413	260	2	0.9328	CARDINAL
eurjchem-2413	260	3	0.1683	CARDINAL
eurjchem-2413	263	1	30%	PERCENT
eurjchem-2413	264	1	0.9328	MONEY
eurjchem-2413	264	2	0.9212	CARDINAL
eurjchem-2413	264	3	0.9187	CARDINAL
eurjchem-2413	265	1	5	CARDINAL
eurjchem-2413	267	1	sarkar et al	PERSON
eurjchem-2413	267	2	14	CARDINAL
eurjchem-2413	267	3	2	CARDINAL
eurjchem-2413	267	4	2023	CARDINAL
eurjchem-2413	267	5	231	CARDINAL
eurjchem-2413	267	6	2023	CARDINAL
eurjchem-2413	267	7	european journal of chemistry	ORG
eurjchem-2413	267	8	nc	GPE
eurjchem-2413	267	9	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	267	10	5	CARDINAL
eurjchem-2413	269	1	6	CARDINAL
eurjchem-2413	270	1	0.0471	CARDINAL
eurjchem-2413	271	1	6	CARDINAL
eurjchem-2413	272	1	two	CARDINAL
eurjchem-2413	274	1	0.929	CARDINAL
eurjchem-2413	274	2	0.2191	CARDINAL
eurjchem-2413	274	3	0.1978	CARDINAL
eurjchem-2413	274	4	0.384	CARDINAL
eurjchem-2413	274	5	0.9302	CARDINAL
eurjchem-2413	274	6	0.9249	CARDINAL
eurjchem-2413	274	7	0.9161	CARDINAL
eurjchem-2413	274	8	0.9612	CARDINAL
eurjchem-2413	274	9	0.8952	CARDINAL
eurjchem-2413	274	10	0.0558	CARDINAL
eurjchem-2413	278	1	two	CARDINAL
eurjchem-2413	280	1	first	ORDINAL
eurjchem-2413	280	2	two	CARDINAL
eurjchem-2413	280	3	minhbint4	PERSON
eurjchem-2413	281	1	37	CARDINAL
eurjchem-2413	281	2	4	CARDINAL
eurjchem-2413	282	1	second	ORDINAL
eurjchem-2413	282	2	three	CARDINAL
eurjchem-2413	283	1	51	CARDINAL
eurjchem-2413	284	1	minhbint4	PERSON
eurjchem-2413	285	1	10	CARDINAL
eurjchem-2413	286	1	−8.8 kcal	QUANTITY
eurjchem-2413	286	2	10	CARDINAL
eurjchem-2413	287	1	10	CARDINAL
eurjchem-2413	288	1	240	CARDINAL
eurjchem-2413	288	2	14	CARDINAL
eurjchem-2413	288	3	2	CARDINAL
eurjchem-2413	288	4	2023	CARDINAL
eurjchem-2413	288	5	231-245 2023	QUANTITY
eurjchem-2413	288	6	european journal of chemistry	ORG
eurjchem-2413	288	7	nc	GPE
eurjchem-2413	288	8	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	288	9	7	CARDINAL
eurjchem-2413	288	10	three	CARDINAL
eurjchem-2413	288	11	two	CARDINAL
eurjchem-2413	288	12	three	CARDINAL
eurjchem-2413	288	13	4mi0	TIME
eurjchem-2413	289	1	3.3	CARDINAL
eurjchem-2413	290	1	38	CARDINAL
eurjchem-2413	295	1	−9.3 kcal/mol	FAC
eurjchem-2413	296	1	two	CARDINAL
eurjchem-2413	297	1	only three	CARDINAL
eurjchem-2413	297	2	h53y	GPE
eurjchem-2413	298	1	7	CARDINAL
eurjchem-2413	299	1	−9.2 kcal/mol	FAC
eurjchem-2413	299	2	two	CARDINAL
eurjchem-2413	300	1	sarkar et al	PERSON
eurjchem-2413	300	2	14	CARDINAL
eurjchem-2413	300	3	2	CARDINAL
eurjchem-2413	300	4	2023	CARDINAL
eurjchem-2413	300	5	231	CARDINAL
eurjchem-2413	300	6	european journal of chemistry	ORG
eurjchem-2413	300	7	nc	GPE
eurjchem-2413	300	8	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	300	9	8	CARDINAL
eurjchem-2413	300	10	100	CARDINAL
eurjchem-2413	300	11	ns md	GPE
eurjchem-2413	301	1	9	CARDINAL
eurjchem-2413	302	1	sasa	ORG
eurjchem-2413	302	2	100	CARDINAL
eurjchem-2413	302	3	ns md	GPE
eurjchem-2413	303	1	two	CARDINAL
eurjchem-2413	304	1	one	CARDINAL
eurjchem-2413	305	1	3.4	CARDINAL
eurjchem-2413	305	2	md	GPE
eurjchem-2413	306	1	md	GPE
eurjchem-2413	308	1	39	CARDINAL
eurjchem-2413	309	1	md	GPE
eurjchem-2413	309	2	100	CARDINAL
eurjchem-2413	309	3	md	GPE
eurjchem-2413	310	1	40	CARDINAL
eurjchem-2413	311	1	up to	CARDINAL
eurjchem-2413	311	2	8)	CARDINAL
eurjchem-2413	313	1	0.49	CARDINAL
eurjchem-2413	314	1	md	GPE
eurjchem-2413	314	2	40	CARDINAL
eurjchem-2413	315	1	h53y	GPE
eurjchem-2413	315	2	9a	CARDINAL
eurjchem-2413	316	1	1.90	CARDINAL
eurjchem-2413	317	1	sasa	NORP
eurjchem-2413	317	2	40	CARDINAL
eurjchem-2413	318	1	sasa	NORP
eurjchem-2413	318	2	130.31	CARDINAL
eurjchem-2413	318	3	9b	CARDINAL
eurjchem-2413	319	1	md simulation	GPE
eurjchem-2413	320	1	100	CARDINAL
eurjchem-2413	320	2	9c	CARDINAL
eurjchem-2413	321	1	656-663	CARDINAL
eurjchem-2413	321	2	666	CARDINAL
eurjchem-2413	321	3	668	CARDINAL
eurjchem-2413	321	4	676	CARDINAL
eurjchem-2413	323	1	242	CARDINAL
eurjchem-2413	323	2	14	CARDINAL
eurjchem-2413	323	3	2	CARDINAL
eurjchem-2413	323	4	2023	CARDINAL
eurjchem-2413	323	5	231-245 2023	QUANTITY
eurjchem-2413	323	6	european journal of chemistry	ORG
eurjchem-2413	323	7	nc	GPE
eurjchem-2413	323	8	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	323	9	10	CARDINAL
eurjchem-2413	323	10	md simulation	GPE
eurjchem-2413	324	1	11	CARDINAL
eurjchem-2413	326	1	sarkar et al	PERSON
eurjchem-2413	326	2	14	CARDINAL
eurjchem-2413	326	3	2	CARDINAL
eurjchem-2413	326	4	2023	CARDINAL
eurjchem-2413	326	5	231	CARDINAL
eurjchem-2413	326	6	european journal of chemistry	ORG
eurjchem-2413	326	7	nc	GPE
eurjchem-2413	326	8	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	328	1	discovery	PRODUCT
eurjchem-2413	329	1	40	CARDINAL
eurjchem-2413	331	1	h53y	GPE
eurjchem-2413	331	2	approximately two	CARDINAL
eurjchem-2413	331	3	9d	CARDINAL
eurjchem-2413	332	1	3.5	CARDINAL
eurjchem-2413	334	1	h53y	GPE
eurjchem-2413	334	2	100	CARDINAL
eurjchem-2413	334	3	md	GPE
eurjchem-2413	335	1	van der	PERSON
eurjchem-2413	335	2	sasa	NORP
eurjchem-2413	336	1	h53y	GPE
eurjchem-2413	336	2	−63.557 ± 0.365 kj/mol	MONEY
eurjchem-2413	338	1	10	CARDINAL
eurjchem-2413	339	1	h53y	GPE
eurjchem-2413	340	1	md	GPE
eurjchem-2413	341	1	mm-pbsa	PERSON
eurjchem-2413	342	1	3.6	CARDINAL
eurjchem-2413	342	2	lipinski	PERSON
eurjchem-2413	342	3	five	CARDINAL
eurjchem-2413	342	4	s6	ORG
eurjchem-2413	343	1	one	CARDINAL
eurjchem-2413	343	2	lipinski	PERSON
eurjchem-2413	343	3	five	CARDINAL
eurjchem-2413	343	4	5	CARDINAL
eurjchem-2413	344	1	two	CARDINAL
eurjchem-2413	344	2	three	CARDINAL
eurjchem-2413	344	3	80%	PERCENT
eurjchem-2413	345	1	94%	PERCENT
eurjchem-2413	346	1	bbb	ORG
eurjchem-2413	346	2	s6	GPE
eurjchem-2413	346	3	two	CARDINAL
eurjchem-2413	349	1	140	CARDINAL
eurjchem-2413	350	1	0.16	CARDINAL
eurjchem-2413	350	2	0.37	CARDINAL
eurjchem-2413	351	1	3.7	CARDINAL
eurjchem-2413	352	1	dft	ORG
eurjchem-2413	353	1	41	CARDINAL
eurjchem-2413	357	1	41	CARDINAL
eurjchem-2413	358	1	3.1	CARDINAL
eurjchem-2413	358	2	3.15	CARDINAL
eurjchem-2413	358	3	11	CARDINAL
eurjchem-2413	360	1	7.94	CARDINAL
eurjchem-2413	362	1	between 0.53 and 0.63	CARDINAL
eurjchem-2413	362	2	between 1.58	CARDINAL
eurjchem-2413	362	3	4.	CARDINAL
eurjchem-2413	363	1	two	CARDINAL
eurjchem-2413	363	2	minhbint4	PERSON
eurjchem-2413	365	1	oecd	ORG
eurjchem-2413	365	2	0.9328	CARDINAL
eurjchem-2413	365	3	0.9212	CARDINAL
eurjchem-2413	365	4	0.9187	CARDINAL
eurjchem-2413	366	1	0.929	CARDINAL
eurjchem-2413	367	1	williams	PERSON
eurjchem-2413	369	1	three	CARDINAL
eurjchem-2413	369	2	greater than 10	CARDINAL
eurjchem-2413	370	1	three	CARDINAL
eurjchem-2413	371	1	kaushik sarkar	PERSON
eurjchem-2413	371	2	university grants commission	ORG
eurjchem-2413	371	3	ugc	ORG
eurjchem-2413	371	4	new delhi	GPE
eurjchem-2413	371	5	rajesh kumar das	PERSON
eurjchem-2413	371	6	university grants commission	ORG
eurjchem-2413	371	7	new delhi	GPE
eurjchem-2413	371	8	12.02.2020	CARDINAL
eurjchem-2413	373	1	23.01.2020	CARDINAL
eurjchem-2413	374	1	the university of north bengal	ORG
eurjchem-2413	374	2	indian	NORP
eurjchem-2413	379	1	kaushik sarkar	PERSON
eurjchem-2413	379	2	rajesh kumar das	PERSON
eurjchem-2413	379	3	kaushik sarkar	PERSON
eurjchem-2413	379	4	rajesh kumar das	PERSON
eurjchem-2413	379	5	kaushik sarkar	PERSON
eurjchem-2413	379	6	rajesh kumar das	PERSON
eurjchem-2413	379	7	kaushik sarkar	PERSON
eurjchem-2413	379	8	rajesh kumar das	PERSON
eurjchem-2413	379	9	kaushik sarkar	PERSON
eurjchem-2413	379	10	rajesh kumar das	PERSON
eurjchem-2413	379	11	kaushik sarkar	PERSON
eurjchem-2413	379	12	rajesh kumar das	PERSON
eurjchem-2413	379	13	kaushik sarkar	PERSON
eurjchem-2413	379	14	rajesh kumar das	PERSON
eurjchem-2413	379	15	kaushik sarkar	PERSON
eurjchem-2413	379	16	244	CARDINAL
eurjchem-2413	379	17	sarkar et al	PERSON
eurjchem-2413	379	18	14	CARDINAL
eurjchem-2413	379	19	2	CARDINAL
eurjchem-2413	379	20	2023	CARDINAL
eurjchem-2413	379	21	231-245 2023	QUANTITY
eurjchem-2413	379	22	european journal of chemistry	ORG
eurjchem-2413	379	23	nc	GPE
eurjchem-2413	379	24	10.5155/eurjchem.14.2.231	MONEY
eurjchem-2413	379	25	kumar das	PERSON
eurjchem-2413	379	26	rajesh kumar das	PERSON
eurjchem-2413	379	27	kaushik sarkar	PERSON
eurjchem-2413	379	28	rajesh kumar das	PERSON
eurjchem-2413	379	29	rajesh kumar das	PERSON
eurjchem-2413	380	1	kaushik sarkar	PERSON
eurjchem-2413	380	2	https://orcid.org/0000-0002-3782-0948	PERSON
eurjchem-2413	380	3	ghosh	PERSON
eurjchem-2413	381	1	rajesh kumar das	PERSON
eurjchem-2413	382	1	1	CARDINAL
eurjchem-2413	383	1	s. k.	PERSON
eurjchem-2413	383	2	tian	PERSON
eurjchem-2413	383	3	x.	GPE
eurjchem-2413	383	4	lafrance	ORG
eurjchem-2413	383	5	l. v.	PERSON
eurjchem-2413	383	6	duquenne	PERSON
eurjchem-2413	383	7	suarez	GPE
eurjchem-2413	383	8	d. p.	PERSON
eurjchem-2413	383	9	k. a.	PERSON
eurjchem-2413	383	10	romeril	GPE
eurjchem-2413	383	11	s. p.; burgess	PERSON
eurjchem-2413	383	12	j. l.	PERSON
eurjchem-2413	383	13	s. w.	PERSON
eurjchem-2413	383	14	brackley	GPE
eurjchem-2413	383	15	j. a.	PERSON
eurjchem-2413	383	16	a. p.	PERSON
eurjchem-2413	383	17	d. a.	PERSON
eurjchem-2413	383	18	shu, a.; thompson	ORG
eurjchem-2413	383	19	c.; ott	PERSON
eurjchem-2413	383	20	h. m.	PERSON
eurjchem-2413	383	21	van aller	PERSON
eurjchem-2413	383	22	g. s.	PERSON
eurjchem-2413	383	23	c. a.	PERSON
eurjchem-2413	383	24	diaz	PERSON
eurjchem-2413	383	25	e.; jiang	PERSON
eurjchem-2413	383	26	johnson	PERSON
eurjchem-2413	383	27	n. w.	PERSON
eurjchem-2413	383	28	knight	ORG
eurjchem-2413	383	29	s. d.	PERSON
eurjchem-2413	383	30	kruger	GPE
eurjchem-2413	383	31	r. g.	PERSON
eurjchem-2413	383	32	m. t.	PERSON
eurjchem-2413	383	33	d.	NORP
eurjchem-2413	383	34	tummino	GPE
eurjchem-2413	383	35	j.; creasy	PERSON
eurjchem-2413	383	36	c. l.	PERSON
eurjchem-2413	383	37	miller	ORG
eurjchem-2413	383	38	w. h.	PERSON
eurjchem-2413	386	1	2012	DATE
eurjchem-2413	386	2	3	CARDINAL
eurjchem-2413	386	3	1091–1096	CARDINAL
eurjchem-2413	387	1	2	CARDINAL
eurjchem-2413	388	1	m. j.	PERSON
eurjchem-2413	388	2	kim	PERSON
eurjchem-2413	388	3	w. k.	PERSON
eurjchem-2413	388	4	park, a.	ORG
eurjchem-2413	388	5	k.-j	PERSON
eurjchem-2413	389	1	kim	PERSON
eurjchem-2413	389	2	han	NORP
eurjchem-2413	389	3	b. s.	PERSON
eurjchem-2413	389	4	kim	PERSON
eurjchem-2413	389	5	i. c.	PERSON
eurjchem-2413	389	6	chi	GPE
eurjchem-2413	389	7	park	GPE
eurjchem-2413	389	8	s. g.	PERSON
eurjchem-2413	389	9	lee	PERSON
eurjchem-2413	389	10	s. c.	PERSON
eurjchem-2413	389	11	bae	ORG
eurjchem-2413	392	1	endocrinol	PERSON
eurjchem-2413	393	1	2016	DATE
eurjchem-2413	393	2	431	CARDINAL
eurjchem-2413	393	3	46–53	CARDINAL
eurjchem-2413	394	1	3	CARDINAL
eurjchem-2413	395	1	batista	PERSON
eurjchem-2413	395	2	i. de a. a.	PERSON
eurjchem-2413	395	3	helguero	GPE
eurjchem-2413	395	4	l. a. biological	PERSON
eurjchem-2413	395	5	setd7	ORG
eurjchem-2413	399	1	2018	DATE
eurjchem-2413	399	2	3	CARDINAL
eurjchem-2413	399	3	19	DATE
eurjchem-2413	400	1	4	CARDINAL
eurjchem-2413	401	1	pradhan	ORG
eurjchem-2413	401	2	s.; chin, h. g.	PERSON
eurjchem-2413	401	3	jacobsen	PERSON
eurjchem-2413	401	4	s. e. set7/9	PERSON
eurjchem-2413	402	1	2009	DATE
eurjchem-2413	402	2	4	DATE
eurjchem-2413	402	3	383–387	CARDINAL
eurjchem-2413	403	1	5	CARDINAL
eurjchem-2413	403	2	peterson	PERSON
eurjchem-2413	403	3	c. l.	PERSON
eurjchem-2413	405	1	curr	PERSON
eurjchem-2413	406	1	biol	PERSON
eurjchem-2413	407	1	2004	DATE
eurjchem-2413	407	2	14	DATE
eurjchem-2413	407	3	51	CARDINAL
eurjchem-2413	408	1	6	CARDINAL
eurjchem-2413	409	1	k. k.	PERSON
eurjchem-2413	410	1	li	PERSON
eurjchem-2413	410	2	s. s.-c.	PERSON
eurjchem-2413	412	1	nat	PERSON
eurjchem-2413	413	1	rev	PERSON
eurjchem-2413	413	2	mol	PERSON
eurjchem-2413	414	1	2015	CARDINAL
eurjchem-2413	414	2	16	DATE
eurjchem-2413	414	3	5	CARDINAL
eurjchem-2413	414	4	17	CARDINAL
eurjchem-2413	415	1	7	CARDINAL
eurjchem-2413	415	2	j. y.	PERSON
eurjchem-2413	415	3	kim	PERSON
eurjchem-2413	415	4	j.-y.	GPE
eurjchem-2413	415	5	j. w.	PERSON
eurjchem-2413	415	6	kang	PERSON
eurjchem-2413	415	7	j.-y.	GPE
eurjchem-2413	415	8	kim	PERSON
eurjchem-2413	415	9	kim	PERSON
eurjchem-2413	415	10	cho, h.	PERSON
eurjchem-2413	416	1	2019	DATE
eurjchem-2413	416	2	47	DATE
eurjchem-2413	416	3	184–196	CARDINAL
eurjchem-2413	417	1	8	CARDINAL
eurjchem-2413	418	1	j.; tian	PERSON
eurjchem-2413	418	2	t.; fu	PERSON
eurjchem-2413	418	3	x.	GPE
eurjchem-2413	418	4	wang	ORG
eurjchem-2413	418	5	w.	PERSON
eurjchem-2413	418	6	li	PERSON
eurjchem-2413	418	7	s.	PERSON
eurjchem-2413	418	8	suo, a.	ORG
eurjchem-2413	418	9	ruan	GPE
eurjchem-2413	418	10	z.; guo, h.; yao	PERSON
eurjchem-2413	420	1	2016	CARDINAL
eurjchem-2413	420	2	37	DATE
eurjchem-2413	421	1	9	CARDINAL
eurjchem-2413	421	2	takemoto	PERSON
eurjchem-2413	421	3	ito	PERSON
eurjchem-2413	421	4	niwa, h.	ORG
eurjchem-2413	421	5	okamura	GPE
eurjchem-2413	421	6	m.; fujiwara	PERSON
eurjchem-2413	421	7	handa	DATE
eurjchem-2413	421	8	ogawa	PERSON
eurjchem-2413	421	9	k.; tariq	PERSON
eurjchem-2413	421	10	m.; nishino	PERSON
eurjchem-2413	421	11	dan, s.; kagechika, h.; yamori	PERSON
eurjchem-2413	421	12	t.; yokoyama	PERSON
eurjchem-2413	421	13	s.	PERSON
eurjchem-2413	421	14	yoshida	ORG
eurjchem-2413	421	15	m. identification	PERSON
eurjchem-2413	421	16	7/9	CARDINAL
eurjchem-2413	422	1	j. med	PERSON
eurjchem-2413	423	1	2016	CARDINAL
eurjchem-2413	423	2	59	DATE
eurjchem-2413	423	3	3650	CARDINAL
eurjchem-2413	423	4	3660	DATE
eurjchem-2413	424	1	10	CARDINAL
eurjchem-2413	425	1	fujiwara	PERSON
eurjchem-2413	425	2	k.	PERSON
eurjchem-2413	425	3	k.; ito	PERSON
eurjchem-2413	425	4	yoshida	PERSON
eurjchem-2413	425	5	m.; kanai	PERSON
eurjchem-2413	425	6	m.; tanatani	PERSON
eurjchem-2413	425	7	a.; kagechika, h.	PERSON
eurjchem-2413	425	8	hirano	ORG
eurjchem-2413	426	1	bioorg	PERSON
eurjchem-2413	427	1	med. chem	ORG
eurjchem-2413	428	1	2016	CARDINAL
eurjchem-2413	428	2	24	DATE
eurjchem-2413	429	1	11	CARDINAL
eurjchem-2413	430	1	a.; viviano	PERSON
eurjchem-2413	430	2	m.; cipriano	PERSON
eurjchem-2413	430	3	milite	PERSON
eurjchem-2413	430	4	c.; castellano	PERSON
eurjchem-2413	430	5	s.	PERSON
eurjchem-2413	433	1	2022	CARDINAL
eurjchem-2413	433	2	3	CARDINAL
eurjchem-2413	433	3	359–406	CARDINAL
eurjchem-2413	434	1	12	CARDINAL
eurjchem-2413	435	1	chang	PERSON
eurjchem-2413	438	1	j. cancer	PERSON
eurjchem-2413	438	2	2012	DATE
eurjchem-2413	438	3	106	DATE
eurjchem-2413	438	4	243–247	CARDINAL
eurjchem-2413	439	1	13	CARDINAL
eurjchem-2413	440	1	j.; kim	PERSON
eurjchem-2413	440	2	h.-y.	GPE
eurjchem-2413	440	3	b. j.	PERSON
eurjchem-2413	440	4	chae	PERSON
eurjchem-2413	440	5	lee	PERSON
eurjchem-2413	440	6	j. y.	PERSON
eurjchem-2413	440	7	ryu	ORG
eurjchem-2413	440	8	s. y.	PERSON
eurjchem-2413	440	9	w.k.	GPE
eurjchem-2413	440	10	cho, h.	PERSON
eurjchem-2413	441	1	bioorg	PERSON
eurjchem-2413	442	1	med.	ORG
eurjchem-2413	443	1	lett	PERSON
eurjchem-2413	443	2	2014	DATE
eurjchem-2413	443	3	24	DATE
eurjchem-2413	444	1	14	CARDINAL
eurjchem-2413	444	2	nasveschuk	PERSON
eurjchem-2413	444	3	c. g.	PERSON
eurjchem-2413	444	4	gagnon	ORG
eurjchem-2413	444	5	a.; garapaty-rao	PERSON
eurjchem-2413	444	6	s.	PERSON
eurjchem-2413	444	7	balasubramanian	NORP
eurjchem-2413	444	8	s.	PERSON
eurjchem-2413	444	9	campbell	ORG
eurjchem-2413	444	10	r.	NORP
eurjchem-2413	444	11	lee	PERSON
eurjchem-2413	444	12	zhao	PERSON
eurjchem-2413	444	13	bergeron	ORG
eurjchem-2413	444	14	cummings	GPE
eurjchem-2413	444	15	r.	NORP
eurjchem-2413	444	16	audia	ORG
eurjchem-2413	444	17	j. e.	PERSON
eurjchem-2413	444	18	albrecht	PERSON
eurjchem-2413	444	19	b. k.	PERSON
eurjchem-2413	448	1	lett	PERSON
eurjchem-2413	448	2	2014	DATE
eurjchem-2413	448	3	5	DATE
eurjchem-2413	448	4	378–383	CARDINAL
eurjchem-2413	449	1	15	CARDINAL
eurjchem-2413	450	1	bradley	PERSON
eurjchem-2413	450	2	w. d.	PERSON
eurjchem-2413	450	3	arora, s.	ORG
eurjchem-2413	450	4	busby	PERSON
eurjchem-2413	450	5	j.; balasubramanian	PERSON
eurjchem-2413	450	6	s.	PERSON
eurjchem-2413	450	7	v. s.	PERSON
eurjchem-2413	450	8	nasveschuk	ORG
eurjchem-2413	450	9	c. g.	PERSON
eurjchem-2413	450	10	r. g.	PERSON
eurjchem-2413	450	11	zhao	PERSON
eurjchem-2413	450	12	f.; williamson	PERSON
eurjchem-2413	450	13	k. e.	PERSON
eurjchem-2413	450	14	j.; campbell	PERSON
eurjchem-2413	450	15	r.	NORP
eurjchem-2413	450	16	cantone	GPE
eurjchem-2413	450	17	garapaty-rao	PERSON
eurjchem-2413	450	18	s.	PERSON
eurjchem-2413	450	19	audia	ORG
eurjchem-2413	450	20	j. e.	PERSON
eurjchem-2413	450	21	a. s.	PERSON
eurjchem-2413	450	22	dakin	GPE
eurjchem-2413	450	23	l. a.	PERSON
eurjchem-2413	450	24	albrecht	PERSON
eurjchem-2413	450	25	b. k.	PERSON
eurjchem-2413	450	26	j.-c.	GPE
eurjchem-2413	451	1	daniels	PERSON
eurjchem-2413	451	2	d. l.	PERSON
eurjchem-2413	451	3	cummings	GPE
eurjchem-2413	451	4	r. t.	PERSON
eurjchem-2413	451	5	b. m.	PERSON
eurjchem-2413	454	1	2014	DATE
eurjchem-2413	454	2	21	DATE
eurjchem-2413	454	3	1463–1475	CARDINAL
eurjchem-2413	455	1	16	CARDINAL
eurjchem-2413	456	1	s. k.	PERSON
eurjchem-2413	456	2	sahayasheela	ORG
eurjchem-2413	456	3	j.; kolluru	PERSON
eurjchem-2413	456	4	s.; pandian	PERSON
eurjchem-2413	456	5	g. n.	PERSON
eurjchem-2413	456	6	santhoshkumar	GPE
eurjchem-2413	456	7	t. r.	PERSON
eurjchem-2413	456	8	dan	PERSON
eurjchem-2413	456	9	v. m.; ramana	PERSON
eurjchem-2413	456	10	c. v. discovery	PERSON
eurjchem-2413	456	11	3(benzofuran-2	CARDINAL
eurjchem-2413	457	1	bioorg	PERSON
eurjchem-2413	458	1	med.	ORG
eurjchem-2413	460	1	2020	DATE
eurjchem-2413	460	2	30, 127431	DATE
eurjchem-2413	461	1	17	CARDINAL
eurjchem-2413	462	1	al-akra	PERSON
eurjchem-2413	462	2	bae, d.-h.	ORG
eurjchem-2413	462	3	leck	PERSON
eurjchem-2413	462	4	l. y. w.	PERSON
eurjchem-2413	462	5	richardson	GPE
eurjchem-2413	462	6	d. r.	NORP
eurjchem-2413	462	7	jansson	GPE
eurjchem-2413	465	1	biophys	PERSON
eurjchem-2413	466	1	acta gen	PERSON
eurjchem-2413	466	2	subj	PERSON
eurjchem-2413	467	1	2019, 1863	DATE
eurjchem-2413	467	2	1390–1397	CARDINAL
eurjchem-2413	468	1	18	CARDINAL
eurjchem-2413	469	1	l.-m	NORP
eurjchem-2413	469	2	ju	GPE
eurjchem-2413	469	3	r.-j	PERSON
eurjchem-2413	470	1	liu	PERSON
eurjchem-2413	470	2	r.	NORP
eurjchem-2413	470	3	li	PERSON
eurjchem-2413	470	4	zeng	PERSON
eurjchem-2413	470	5	lu	ORG
eurjchem-2413	472	1	adv. drug deliv	ORG
eurjchem-2413	473	1	2017	DATE
eurjchem-2413	473	2	115	CARDINAL
eurjchem-2413	473	3	46–56	CARDINAL
eurjchem-2413	474	1	19	CARDINAL
eurjchem-2413	475	1	x.	GPE
eurjchem-2413	475	2	gong	PERSON
eurjchem-2413	475	3	wang	PERSON
eurjchem-2413	475	4	x.	GPE
eurjchem-2413	477	1	j. med	PERSON
eurjchem-2413	478	1	2020	DATE
eurjchem-2413	478	2	200	CARDINAL
eurjchem-2413	478	3	112359	DATE
eurjchem-2413	479	1	20	CARDINAL
eurjchem-2413	480	1	napiórkowska	PERSON
eurjchem-2413	480	2	m.; cieślak	PERSON
eurjchem-2413	480	3	m.; kaźmierczak-barańska	PERSON
eurjchem-2413	480	4	j.	PERSON
eurjchem-2413	480	5	królewskagolińska	GPE
eurjchem-2413	480	6	k.	PERSON
eurjchem-2413	481	1	2019	DATE
eurjchem-2413	481	2	24	DATE
eurjchem-2413	481	3	1529	DATE
eurjchem-2413	482	1	21	CARDINAL
eurjchem-2413	483	1	c. w. padel-descriptor	PERSON
eurjchem-2413	484	1	j. comput	PERSON
eurjchem-2413	486	1	2011	DATE
eurjchem-2413	486	2	32	DATE
eurjchem-2413	486	3	1466–1474	CARDINAL
eurjchem-2413	487	1	22	CARDINAL
eurjchem-2413	488	1	hanwell	ORG
eurjchem-2413	488	2	m. d.	PERSON
eurjchem-2413	488	3	curtis	GPE
eurjchem-2413	488	4	d. e.	PERSON
eurjchem-2413	488	5	lonie	ORG
eurjchem-2413	488	6	d. c.	PERSON
eurjchem-2413	488	7	hutchison	GPE
eurjchem-2413	488	8	g. r. avogadro	PERSON
eurjchem-2413	489	1	j. cheminform	PERSON
eurjchem-2413	490	1	2012	DATE
eurjchem-2413	490	2	4	DATE
eurjchem-2413	490	3	17	DATE
eurjchem-2413	491	1	23	CARDINAL
eurjchem-2413	492	1	chirico	GPE
eurjchem-2413	492	2	e.; cassani	PERSON
eurjchem-2413	492	3	s.; kovarich	PERSON
eurjchem-2413	492	4	s. qsarins	PERSON
eurjchem-2413	492	5	mlr	ORG
eurjchem-2413	493	1	j. comput	PERSON
eurjchem-2413	495	1	2013	DATE
eurjchem-2413	495	2	34	DATE
eurjchem-2413	495	3	2121–2132	DATE
eurjchem-2413	496	1	24	CARDINAL
eurjchem-2413	497	1	campos delgado	PERSON
eurjchem-2413	497	2	l. e.	PERSON
eurjchem-2413	497	3	torrens	PERSON
eurjchem-2413	497	4	castillogarit	ORG
eurjchem-2413	497	5	j. a.	PERSON
eurjchem-2413	497	6	oecd	ORG
eurjchem-2413	497	7	1[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine	TIME
eurjchem-2413	499	1	2020	DATE
eurjchem-2413	499	2	31	DATE
eurjchem-2413	499	3	741–759	DATE
eurjchem-2413	500	1	25	CARDINAL
eurjchem-2413	501	1	morris	PERSON
eurjchem-2413	501	2	g. m.; huey	PERSON
eurjchem-2413	501	3	r.	NORP
eurjchem-2413	501	4	w.	PERSON
eurjchem-2413	501	5	m. f.; belew	PERSON
eurjchem-2413	501	6	r. k.	PERSON
eurjchem-2413	501	7	d. s.	PERSON
eurjchem-2413	501	8	olson	GPE
eurjchem-2413	501	9	a. j. autodock4	PERSON
eurjchem-2413	501	10	autodocktools4	GPE
eurjchem-2413	502	1	j. comput	PERSON
eurjchem-2413	504	1	2009	DATE
eurjchem-2413	504	2	30	DATE
eurjchem-2413	504	3	2785–2791	CARDINAL
eurjchem-2413	505	1	26	CARDINAL
eurjchem-2413	506	1	olson	PERSON
eurjchem-2413	506	2	a. j. autodock vina	PERSON
eurjchem-2413	507	1	j. comput	PERSON
eurjchem-2413	509	1	2010	DATE
eurjchem-2413	509	2	31	DATE
eurjchem-2413	509	3	455–461	CARDINAL
eurjchem-2413	510	1	27	CARDINAL
eurjchem-2413	511	1	lee	PERSON
eurjchem-2413	511	2	s.; tran	PERSON
eurjchem-2413	511	3	a.;	PERSON
eurjchem-2413	511	4	allsopp	GPE
eurjchem-2413	511	5	m.; lim	PERSON
eurjchem-2413	511	6	j. b.	PERSON
eurjchem-2413	511	7	j.; klauda	PERSON
eurjchem-2413	511	8	j. b. charmm36	PERSON
eurjchem-2413	512	1	j. phys	PERSON
eurjchem-2413	514	1	2014	DATE
eurjchem-2413	514	2	118	CARDINAL
eurjchem-2413	514	3	547–556	CARDINAL
eurjchem-2413	515	1	28	CARDINAL
eurjchem-2413	516	1	boonstra	ORG
eurjchem-2413	516	2	s.	PERSON
eurjchem-2413	516	3	onck	NORP
eurjchem-2413	516	4	giessen	PERSON
eurjchem-2413	516	5	e. van der charmm	PERSON
eurjchem-2413	517	1	j. phys	PERSON
eurjchem-2413	519	1	2016	CARDINAL
eurjchem-2413	519	2	120	CARDINAL
eurjchem-2413	519	3	3692–3698	CARDINAL
eurjchem-2413	520	1	29	CARDINAL
eurjchem-2413	521	1	k.; hatcher	PERSON
eurjchem-2413	521	2	e.; acharya	PERSON
eurjchem-2413	521	3	c.; kundu	PERSON
eurjchem-2413	521	4	s.; zhong	PERSON
eurjchem-2413	521	5	s.	PERSON
eurjchem-2413	521	6	j.; darian	PERSON
eurjchem-2413	521	7	e.; guvench	PERSON
eurjchem-2413	521	8	lopes	PERSON
eurjchem-2413	521	9	vorobyov	ORG
eurjchem-2413	521	10	i.; mackerell	PERSON
eurjchem-2413	521	11	a. d.	PERSON
eurjchem-2413	521	12	jr charmm	PERSON
eurjchem-2413	522	1	j. comput	PERSON
eurjchem-2413	524	1	2009	DATE
eurjchem-2413	524	2	31	DATE
eurjchem-2413	524	3	671–690	CARDINAL
eurjchem-2413	525	1	30	CARDINAL
eurjchem-2413	526	1	k.; mackerell	PERSON
eurjchem-2413	526	2	a. d.	PERSON
eurjchem-2413	528	1	j. chem	PERSON
eurjchem-2413	530	1	2012	DATE
eurjchem-2413	530	2	52	DATE
eurjchem-2413	530	3	3144–3154	CARDINAL
eurjchem-2413	531	1	31	CARDINAL
eurjchem-2413	532	1	kumari	PERSON
eurjchem-2413	532	2	r.; kumar	PERSON
eurjchem-2413	532	3	r.	NORP
eurjchem-2413	532	4	lynn	GPE
eurjchem-2413	532	5	a. g_mmpbsa	PERSON
eurjchem-2413	533	1	j. chem	PERSON
eurjchem-2413	535	1	2014	DATE
eurjchem-2413	535	2	54	DATE
eurjchem-2413	535	3	1951–1962	DATE
eurjchem-2413	536	1	32	CARDINAL
eurjchem-2413	537	1	n. a.	PERSON
eurjchem-2413	537	2	sept	GPE
eurjchem-2413	537	3	d.	NORP
eurjchem-2413	537	4	joseph	GPE
eurjchem-2413	537	5	s.	PERSON
eurjchem-2413	537	6	holst	GPE
eurjchem-2413	537	7	m. j.	PERSON
eurjchem-2413	537	8	j. a. electrostatics	PERSON
eurjchem-2413	540	1	acad	ORG
eurjchem-2413	541	1	sci. u. s. a. 2001	ORG
eurjchem-2413	541	2	98	DATE
eurjchem-2413	541	3	10037–10041	CARDINAL
eurjchem-2413	542	1	33	CARDINAL
eurjchem-2413	544	1	february 9	DATE
eurjchem-2413	544	2	2023	CARDINAL
eurjchem-2413	545	1	34	CARDINAL
eurjchem-2413	545	2	m. j.	PERSON
eurjchem-2413	545	3	g. w.	PERSON
eurjchem-2413	545	4	schlegel	ORG
eurjchem-2413	545	5	h. b.	PERSON
eurjchem-2413	545	6	scuseria	GPE
eurjchem-2413	545	7	g. e.	PERSON
eurjchem-2413	545	8	robb	PERSON
eurjchem-2413	545	9	m. a.	PERSON
eurjchem-2413	545	10	cheeseman	PERSON
eurjchem-2413	545	11	j. r.	PERSON
eurjchem-2413	545	12	montgomery	GPE
eurjchem-2413	545	13	j. a.	PERSON
eurjchem-2413	545	14	vreven	ORG
eurjchem-2413	545	15	kudin	ORG
eurjchem-2413	545	16	k. n.	PERSON
eurjchem-2413	545	17	j. c.	PERSON
eurjchem-2413	545	18	millam	PERSON
eurjchem-2413	545	19	j. m.	PERSON
eurjchem-2413	545	20	s. s.	PERSON
eurjchem-2413	545	21	tomasi	PERSON
eurjchem-2413	545	22	j.	PERSON
eurjchem-2413	545	23	barone	GPE
eurjchem-2413	545	24	mennucci	PERSON
eurjchem-2413	545	25	b.	PERSON
eurjchem-2413	545	26	cossi	GPE
eurjchem-2413	545	27	m.; scalmani	PERSON
eurjchem-2413	545	28	g.	PERSON
eurjchem-2413	545	29	rega	PERSON
eurjchem-2413	545	30	petersson	GPE
eurjchem-2413	545	31	g. a.	PERSON
eurjchem-2413	545	32	nakatsuji, h.	ORG
eurjchem-2413	545	33	hada	ORG
eurjchem-2413	545	34	m.; ehara, m.; toyota	PERSON
eurjchem-2413	545	35	k.; fukuda	PERSON
eurjchem-2413	545	36	r.	NORP
eurjchem-2413	545	37	hasegawa	PERSON
eurjchem-2413	545	38	j.	PERSON
eurjchem-2413	545	39	nakajima	ORG
eurjchem-2413	545	40	t.	GPE
eurjchem-2413	545	41	honda	ORG
eurjchem-2413	545	42	kitao	PERSON
eurjchem-2413	545	43	nakai, h.; klene	ORG
eurjchem-2413	545	44	m.; li	PERSON
eurjchem-2413	545	45	x.	GPE
eurjchem-2413	545	46	knox	GPE
eurjchem-2413	545	47	j. e.	PERSON
eurjchem-2413	545	48	hratchian, h. p.; cross	ORG
eurjchem-2413	545	49	j. b.	PERSON
eurjchem-2413	545	50	adamo	GPE
eurjchem-2413	545	51	j.; gomperts	PERSON
eurjchem-2413	545	52	r.	NORP
eurjchem-2413	545	53	stratmann, r. e.; yazyev	GPE
eurjchem-2413	545	54	austin	GPE
eurjchem-2413	545	55	a. j.; cammi	PERSON
eurjchem-2413	545	56	r.; pomelli	PERSON
eurjchem-2413	545	57	j. w.	PERSON
eurjchem-2413	545	58	ayala	GPE
eurjchem-2413	545	59	k.	PERSON
eurjchem-2413	545	60	voth	PERSON
eurjchem-2413	545	61	g. a.	PERSON
eurjchem-2413	545	62	salvador	GPE
eurjchem-2413	545	63	dannenberg	GPE
eurjchem-2413	545	64	j. j.	PERSON
eurjchem-2413	545	65	v. g.	PERSON
eurjchem-2413	545	66	daniels	GPE
eurjchem-2413	545	67	a. d.	PERSON
eurjchem-2413	545	68	m. c.	PERSON
eurjchem-2413	545	69	farkas	ORG
eurjchem-2413	545	70	malick	PERSON
eurjchem-2413	545	71	d. k.	PERSON
eurjchem-2413	545	72	rabuck, a. d.	PERSON
eurjchem-2413	545	73	j. b.	PERSON
eurjchem-2413	545	74	j. v.	PERSON
eurjchem-2413	545	75	q.	PERSON
eurjchem-2413	545	76	baboul	GPE
eurjchem-2413	545	77	a. g.	PERSON
eurjchem-2413	545	78	clifford	ORG
eurjchem-2413	545	79	s.	PERSON
eurjchem-2413	545	80	j.; stefanov	PERSON
eurjchem-2413	545	81	b. b.	PERSON
eurjchem-2413	546	1	liu	PERSON
eurjchem-2413	546	2	a.; piskorz	PERSON
eurjchem-2413	546	3	i.	PERSON
eurjchem-2413	546	4	martin	PERSON
eurjchem-2413	546	5	r. l.	PERSON
eurjchem-2413	546	6	fox	ORG
eurjchem-2413	546	7	d. j.	PERSON
eurjchem-2413	546	8	keith	PERSON
eurjchem-2413	546	9	al-laham	ORG
eurjchem-2413	546	10	m. a.	PERSON
eurjchem-2413	546	11	peng	PERSON
eurjchem-2413	546	12	c. y.	PERSON
eurjchem-2413	546	13	nanayakkara, a.	ORG
eurjchem-2413	546	14	m.; gill	PERSON
eurjchem-2413	546	15	m. w.	PERSON
eurjchem-2413	546	16	johnson	PERSON
eurjchem-2413	546	17	b.	PERSON
eurjchem-2413	546	18	chen	PERSON
eurjchem-2413	546	19	w.	PERSON
eurjchem-2413	546	20	wong	GPE
eurjchem-2413	546	21	m. w.	PERSON
eurjchem-2413	546	22	gonzalez	PERSON
eurjchem-2413	546	23	j. a. gaussian, inc.	PERSON
eurjchem-2413	546	24	wallingford ct	GPE
eurjchem-2413	546	25	2016	DATE
eurjchem-2413	547	1	35	CARDINAL
eurjchem-2413	548	1	r.	NORP
eurjchem-2413	548	2	keith	PERSON
eurjchem-2413	548	3	t. a.	PERSON
eurjchem-2413	548	4	millam	PERSON
eurjchem-2413	548	5	j. m. gaussview	PERSON
eurjchem-2413	548	6	6	CARDINAL
eurjchem-2413	548	7	shawnee mission	PERSON
eurjchem-2413	548	8	ks	GPE
eurjchem-2413	548	9	2016	DATE
eurjchem-2413	549	1	36	CARDINAL
eurjchem-2413	550	1	j.; jorgensen	PERSON
eurjchem-2413	550	2	w. l.	PERSON
eurjchem-2413	551	1	j. chem	PERSON
eurjchem-2413	553	1	2008	DATE
eurjchem-2413	553	2	4	DATE
eurjchem-2413	553	3	297–306	CARDINAL
eurjchem-2413	554	1	mailto:kaushikchemistry@gmail.com	ORG
eurjchem-2413	555	1	mailto:rajeshnbu@gmail.com	PRODUCT
eurjchem-2413	556	1	14	CARDINAL
eurjchem-2413	556	2	2	CARDINAL
eurjchem-2413	556	3	2023	CARDINAL
eurjchem-2413	556	4	231	CARDINAL
eurjchem-2413	556	5	european journal of chemistry	ORG
eurjchem-2413	556	6	nc	GPE
eurjchem-2413	556	7	10.5155/eurjchem.14.2.231-245.2413	MONEY
eurjchem-2413	557	1	37	CARDINAL
eurjchem-2413	558	1	abdulfatai	PERSON
eurjchem-2413	558	2	uba	ORG
eurjchem-2413	559	1	egypt	GPE
eurjchem-2413	560	1	j.	PERSON
eurjchem-2413	561	1	sci. 2018,	ORG
eurjchem-2413	561	2	5	CARDINAL
eurjchem-2413	561	3	41–53	CARDINAL
eurjchem-2413	562	1	38	CARDINAL
eurjchem-2413	563	1	subramani	ORG
eurjchem-2413	563	2	a. k.	PERSON
eurjchem-2413	563	3	natarajan	GPE
eurjchem-2413	563	4	r.	NORP
eurjchem-2413	563	5	r. r.	PERSON
eurjchem-2413	563	6	shaik	GPE
eurjchem-2413	563	7	a. b.	PERSON
eurjchem-2413	564	1	2022	CARDINAL
eurjchem-2413	564	2	27, 1845	DATE
eurjchem-2413	565	1	39	CARDINAL
eurjchem-2413	566	1	k.; das	PERSON
eurjchem-2413	566	2	r. k.	PERSON
eurjchem-2413	569	1	2022	CARDINAL
eurjchem-2413	569	2	12	CARDINAL
eurjchem-2413	569	3	655–670	CARDINAL
eurjchem-2413	570	1	40	CARDINAL
eurjchem-2413	570	2	b.	PERSON
eurjchem-2413	570	3	bhattacherjee	GPE
eurjchem-2413	570	4	d.	NORP
eurjchem-2413	570	5	zyryanov	GPE
eurjchem-2413	570	6	g. v.;	PERSON
eurjchem-2413	570	7	purohit	GPE
eurjchem-2413	570	8	r.	NORP
eurjchem-2413	570	9	10a	CARDINAL
eurjchem-2413	571	1	j. biomol	PERSON
eurjchem-2413	573	1	2022	CARDINAL
eurjchem-2413	573	2	1–13	DATE
eurjchem-2413	574	1	41	CARDINAL
eurjchem-2413	575	1	al-ostoot	PERSON
eurjchem-2413	575	2	f. h.	PERSON
eurjchem-2413	575	3	geetha	GPE
eurjchem-2413	575	4	d. v.	PERSON
eurjchem-2413	575	5	mohammed	PERSON
eurjchem-2413	575	6	y. h. e.	PERSON
eurjchem-2413	575	7	sridhar	ORG
eurjchem-2413	575	8	m. a.	PERSON
eurjchem-2413	575	9	khanum	GPE
eurjchem-2413	575	10	s. a. design	PERSON
eurjchem-2413	576	1	j. mol	PERSON
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eurjchem-2413	577	2	1202	DATE
eurjchem-2413	577	3	127244	DATE
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