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Ruben Abagyan
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XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification
CA Smith, EJ Want, G O'Maille, R Abagyan, G Siuzdak
Analytical chemistry 78 (3), 779-787, 2006
48272006
METLIN: a metabolite mass spectral database
CA Smith, G O'Maille, EJ Want, C Qin, SA Trauger, TR Brandon, ...
Therapeutic drug monitoring 27 (6), 747-751, 2005
23932005
Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists
B Wu, EYT Chien, CD Mol, G Fenalti, W Liu, V Katritch, R Abagyan, ...
Science 330 (6007), 1066-1071, 2010
20752010
ICM—A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation
R Abagyan, M Totrov, D Kuznetsov
Journal of computational chemistry 15 (5), 488-506, 1994
19931994
Sirtuin 2 inhibitors rescue α-synuclein-mediated toxicity in models of Parkinson's disease
TF Outeiro, E Kontopoulos, SM Altmann, I Kufareva, KE Strathearn, ...
science 317 (5837), 516-519, 2007
12422007
Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins
R Abagyan, M Totrov
Journal of molecular biology 235 (3), 983-1002, 1994
11481994
Structure of the human histamine H1 receptor complex with doxepin
T Shimamura, M Shiroishi, S Weyand, H Tsujimoto, G Winter, V Katritch, ...
Nature 475 (7354), 65-70, 2011
9432011
Virtual ligand screening of the p300/CBP histone acetyltransferase: identification of a selective small molecule inhibitor
EM Bowers, G Yan, C Mukherjee, A Orry, L Wang, MA Holbert, NT Crump, ...
Chemistry & biology 17 (5), 471-482, 2010
6802010
Flexible ligand docking to multiple receptor conformations: a practical alternative
M Totrov, R Abagyan
Current opinion in structural biology 18 (2), 178-184, 2008
5962008
Methods of protein structure comparison
I Kufareva, R Abagyan
Homology Modeling: Methods and Protocols, 231-257, 2012
5772012
Flexible protein–ligand docking by global energy optimization in internal coordinates
M Totrov, R Abagyan
Proteins: Structure, Function, and Bioinformatics 29 (S1), 215-220, 1997
5501997
Protein flexibility in ligand docking and virtual screening to protein kinases
CN Cavasotto, RA Abagyan
Journal of molecular biology 337 (1), 209-225, 2004
5122004
High-throughput docking for lead generation
R Abagyan, M Totrov
Current opinion in chemical biology 5 (4), 375-382, 2001
5122001
Comparative study of several algorithms for flexible ligand docking
BD Bursulaya, M Totrov, R Abagyan, CL Brooks
Journal of computer-aided molecular design 17, 755-763, 2003
4922003
Pocketome via comprehensive identification and classification of ligand binding envelopes
J An, M Totrov, R Abagyan
Molecular & Cellular Proteomics 4 (6), 752-761, 2005
4862005
Lanosterol reverses protein aggregation in cataracts
L Zhao, XJ Chen, J Zhu, YB Xi, X Yang, LD Hu, H Ouyang, SH Patel, X Jin, ...
Nature 523 (7562), 607-611, 2015
4592015
Identification and analysis of PH domain-containing targets of phosphatidylinositol 3-kinase using a novel in vivo assay in yeast
SJ Isakoff, T Cardozo, J Andreev, Z Li, KM Ferguson, R Abagyan, ...
The EMBO journal 17 (18), 5374-5387, 1998
4301998
Conserved Binding Mode of Human β2 Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
D Wacker, G Fenalti, MA Brown, V Katritch, R Abagyan, V Cherezov, ...
Journal of the American Chemical Society 132 (33), 11443-11445, 2010
4172010
Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine
L Qin, I Kufareva, LG Holden, C Wang, Y Zheng, C Zhao, G Fenalti, H Wu, ...
Science 347 (6226), 1117-1122, 2015
4052015
The GPCR Network: a large-scale collaboration to determine human GPCR structure and function
RC Stevens, V Cherezov, V Katritch, R Abagyan, P Kuhn, H Rosen, ...
Nature reviews Drug discovery 12 (1), 25-34, 2013
3762013
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