Ruben Abagyan

Overview

Best Publications

• XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification.

  Colin A Smith;Elizabeth J Want;Grace O'Maille;Ruben Abagyan

  5616
  Citations

• METLIN: a metabolite mass spectral database.

  Colin A Smith;Grace O'Maille;Elizabeth J Want;Chuan Qin

  2545
  Citations

• Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.

  Beili Wu;Ellen Y. T. Chien;Clifford D. Mol;Gustavo Fenalti

  2156
  Citations

• ICM—a new method for protein modeling and design: applications to docking and structure prediction from the distorted native conformation

  Ruben Abagyan;Maxim Totrov;Dmitry Kuznetsov

  1998
  Citations

• Sirtuin 2 Inhibitors Rescue α-Synuclein-Mediated Toxicity in Models of Parkinson's Disease

  Tiago Fleming Outeiro;Eirene Kontopoulos;Stephen M. Altmann;Irina Kufareva

  1259
  Citations

• Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins.

  Ruben Abagyan;Maxim Totrov

  1156
  Citations

• Structure of the human histamine H1 receptor complex with doxepin.

  Tatsuro Shimamura;Tatsuro Shimamura;Mitsunori Shiroishi;Mitsunori Shiroishi;Simone Weyand;Hirokazu Tsujimoto

  989
  Citations

• Virtual ligand screening of the p300/CBP histone acetyltransferase: identification of a selective small molecule inhibitor.

  Erin M. Bowers;Gai Yan;Chandrani Mukherjee;Andrew Orry

  737
  Citations

• Methods of Protein Structure Comparison

  Irina Kufareva;Ruben Abagyan

  610
  Citations

• Flexible ligand docking to multiple receptor conformations: a practical alternative.

  Maxim Totrov;Ruben Abagyan

  583
  Citations

• Flexible protein-ligand docking by global energy optimization in internal coordinates.

  Maxim Totrov;Ruben Abagyan

  546
  Citations

• Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes

  Jianghong An;Maxim Totrov;Ruben Abagyan

  509
  Citations

• Protein flexibility in ligand docking and virtual screening to protein kinases.

  Claudio N. Cavasotto;Ruben A. Abagyan

  503
  Citations

• High-throughput docking for lead generation.

  Ruben Abagyan;Maxim Totrov

  498
  Citations

• Lanosterol reverses protein aggregation in cataracts

  Ling Zhao;Xiang-Jun Chen;Jie Zhu;Yi-Bo Xi

  493
  Citations

• Comparative study of several algorithms for flexible ligand docking.

  Badry D. Bursulaya;Maxim Totrov;Ruben Abagyan;Charles L. Brooks

  490
  Citations

• Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine

  Ling Qin;Irina Kufareva;Lauren G. Holden;Chong Wang

  441
  Citations

• Identification and analysis of PH domain-containing targets of phosphatidylinositol 3-kinase using a novel in vivo assay in yeast.

  Steven J. Isakoff;Tim Cardozo;Julian Andreev;Zhai Li

  431
  Citations

• Conserved Binding Mode of Human β2 Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography

  Daniel Wacker;Gustavo Fenalti;Monica A. Brown;Vsevolod Katritch

  423
  Citations

• The GPCR Network: a large-scale collaboration to determine human GPCR structure and function.

  Raymond C. Stevens;Vadim Cherezov;Vsevolod Katritch;Ruben Abagyan

  377
  Citations