LamBras's Abagyan:R [9 articles] Export Sort

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	Identifying conformational changes of the β2 adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators [My Copy] Journal of Computer-Aided Molecular Design by Kimberly Reynolds, Vsevolod Katritch, Ruben Abagyan posted to conformers gpcr xray by LamBras on 2009-01-30 08:28:08 as along with 1 person zimbo1
	Optimization of High Throughput Virtual Screening by Combining Shape-Matching and Docking Methods [My Copy] J. Chem. Inf. Model. (27 February 2008) by H. S. Lee, J. Choi, I. Kufareva, et al.R. Abagyan, A. Filikov, Y. Yang, S. Yoon posted to docking drugdesign virtual_screening by LamBras on 2008-09-08 15:07:34 as along with 1 person middledomain
	Flexible protein-ligand docking by global energy optimization in internal coordinates [My Copy] Proteins, Vol. Suppl 1 (1997), pp. 215-220. by M. Totrov, R. Abagyan posted to flexibility by LamBras on 2008-03-15 16:27:12 as
	Representing receptor flexibility in ligand docking through relevant normal modes [My Copy] J Am Chem Soc, Vol. 127, No. 26. (2005), pp. 9632-9640. by C. N. Cavasotto, J. A. Kovacs, R. A. Abagyan posted to flexibility normal_modes by LamBras on 2008-03-15 16:27:08 as
	Protein flexibility in ligand docking and virtual screening to protein kinases [My Copy] J Mol Biol, Vol. 337, No. 1. (2004), pp. 209-225. by C. N. Cavasotto, R. A. Abagyan posted to flexibility by LamBras on 2008-03-15 16:27:08 as
	A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE) [My Copy] Journal of Computer-Aided Molecular Design by Giovanni Bottegoni, Irina Kufareva, Maxim Totrov, Ruben Abagyan posted to docking flexibility by LamBras on 2008-03-10 13:35:39 as along with 1 person AtoZ
	Flexible protein-ligand docking by global energy optimization in internal coordinates. [My Copy] Proteins, Vol. Suppl 1 (1997), pp. 215-220. by M. Totrov, R. Abagyan posted to flexibility by LamBras on 2007-11-23 12:43:55 as along with 2 people schlauchi kazemi
	Protein flexibility in ligand docking and virtual screening to protein kinases. [My Copy] J Mol Biol, Vol. 337, No. 1. (12 March 2004), pp. 209-225. by C. N. Cavasotto, R. A. Abagyan posted to flexibility by LamBras on 2007-11-23 12:40:19 as along with 9 people and 3 groups flbarroso oteri BragilMassoud dgruiz yongzhao sangeetha anwazo daevans kazemi Bioinformatics TSRI_MGL insilicodrug
	Representing receptor flexibility in ligand docking through relevant normal modes. [My Copy] J Am Chem Soc, Vol. 127, No. 26. (6 July 2005), pp. 9632-9640. by C. N. Cavasotto, J. A. Kovacs, R. A. Abagyan posted to flexibility normal_modes by LamBras on 2007-11-23 11:18:43 as along with 6 people and 3 groups BragilMassoud apaydin barry aqeel yongzhao kazemi structural_bioinformatics Bioinformatics TSRI_MGL

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flexibility	61
md	61
serinracemase	58
nmda	58
docking	53
virtual_screening	45
adme	30
drugdesign	26
review	19
scoring	18
cheminformatics	14
trna	13
bayesian	12
muscarinic	12
free_energy	12
sidechain	12
ion_channels	12
library_design	10
homology_modeling	9
targeted_md	8
normal_modes	8
nr1	7
rotamers	7
sar	7
conformers	6
gpcr	6
xray	5
forcefield	5
clustering	5
nmr	5
herg	4
surface	4
water_replacement	4
proteins	4
druglike	4
alzheimer	3
hts	3
fingerprints	3
ensemble	3
chemicalspace	3
scaffoldhopping	3
shape	2
similarity	2
correlation	2
racemase	2
lipophilicity	2
dynamics	2
mmpbsa	2
hd	2
graph	2
pipelining	2
validation	1
allosteric	1
x-ray	1
denovo	1
r1	1
induced_fit	1
schroedinger	1
de_novo	1
qsar	1
ppb	1
m1m2	1
virtuak_screening	1
itc	1

LamBras's Abagyan:R [9 articles] Export Sort

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