| Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming DK Gehlhaar, GM Verkhivker, PA Rejto, CJ Sherman, DR Fogel, LJ Fogel, ... Chemistry & biology 2 (5), 317-324, 1995 | 893 | 1995 |
| Deciphering common failures in molecular docking of ligand-protein complexes GM Verkhivker, D Bouzida, DK Gehlhaar, PA Rejto, S Arthurs, AB Colson, ... Journal of computer-aided molecular design 14, 731-751, 2000 | 303 | 2000 |
| Empirical free energy calculations of ligand-protein crystallographic complexes. I. Knowledge-based ligand-protein interaction potentials applied to the prediction of human … G Verkhivker, K Appelt, ST Freer, JE Villafranca Protein Engineering, Design and Selection 8 (7), 677-691, 1995 | 211 | 1995 |
| MOIL: A program for simulations of macromolecules R Elber, A Roitberg, C Simmerling, R Goldstein, H Li, G Verkhivker, ... Computer Physics Communications 91 (1-3), 159-189, 1995 | 207 | 1995 |
| Energy landscape theory, funnels, specificity, and optimal criterion of biomolecular binding J Wang, GM Verkhivker Physical review letters 90 (18), 188101, 2003 | 173 | 2003 |
| Modeling signal propagation mechanisms and ligand-based conformational dynamics of the Hsp90 molecular chaperone full-length dimer G Morra, G Verkhivker, G Colombo PLoS computational biology 5 (3), e1000323, 2009 | 166 | 2009 |
| Complexity and simplicity of ligand–macromolecule interactions: the energy landscape perspective GM Verkhivker, D Bouzida, DK Gehlhaar, PA Rejto, ST Freer, PW Rose Current opinion in structural biology 12 (2), 197-203, 2002 | 129 | 2002 |
| Docking conformationally flexible small molecules into a protein binding site through evolutionary programming DK Gehlhaar, G Verkhivker, PA Rejto, DB Fogel, LJ Fogel, ST Freer | 129 | 1995 |
| Cancer driver mutations in protein kinase genes A Torkamani, G Verkhivker, NJ Schork Cancer letters 281 (2), 117-127, 2009 | 127 | 2009 |
| Elucidation of the Hsp90 C-terminal inhibitor binding site RL Matts, A Dixit, LB Peterson, L Sun, S Voruganti, P Kalyanaraman, ... ACS chemical biology 6 (8), 800-807, 2011 | 118 | 2011 |
| On the exergy analysis of power plants GP Verkhivker, BV Kosoy Energy Conversion and Management 42 (18), 2053-2059, 2001 | 118 | 2001 |
| Simulating disorder–order transitions in molecular recognition of unstructured proteins: where folding meets binding GM Verkhivker, D Bouzida, DK Gehlhaar, PA Rejto, ST Freer, PW Rose Proceedings of the National Academy of Sciences 100 (9), 5148-5153, 2003 | 116 | 2003 |
| Predicting structural effects in HIV‐1 protease mutant complexes with flexible ligand docking and protein side‐chain optimization L Schaffer, GM Verkhivker Proteins: Structure, Function, and Bioinformatics 33 (2), 295-310, 1998 | 110 | 1998 |
| A systematic protocol for the characterization of Hsp90 modulators RL Matts, GEL Brandt, Y Lu, A Dixit, M Mollapour, S Wang, AC Donnelly, ... Bioorganic & medicinal chemistry 19 (1), 684-692, 2011 | 99 | 2011 |
| Unraveling principles of lead discovery: from unfrustrated energy landscapes to novel molecular anchors. PA Rejto, GM Verkhivker Proceedings of the National Academy of Sciences 93 (17), 8945-8950, 1996 | 97 | 1996 |
| Dynamics-based discovery of allosteric inhibitors: selection of new ligands for the C-terminal domain of Hsp90 G Morra, MAC Neves, CJ Plescia, S Tsustsumi, L Neckers, G Verkhivker, ... Journal of chemical theory and computation 6 (9), 2978-2989, 2010 | 92 | 2010 |
| Computational analysis of residue interaction networks and coevolutionary relationships in the Hsp70 chaperones: A community-hopping model of allosteric regulation and … G Stetz, GM Verkhivker PLoS Computational Biology 13 (1), e1005299, 2017 | 90 | 2017 |
| Sequence and structure signatures of cancer mutation hotspots in protein kinases A Dixit, L Yi, R Gowthaman, A Torkamani, NJ Schork, GM Verkhivker PloS one 4 (10), e7485, 2009 | 90 | 2009 |
| Combinatorial Library Design and Evaluation: Principles, Software, Tools, and Applications in Drug Discovery A Ghose, V Viswanadhan CRC Press, 2001 | 87 | 2001 |
| Computational modeling of allosteric regulation in the hsp90 chaperones: a statistical ensemble analysis of protein structure networks and allosteric communications K Blacklock, GM Verkhivker PLoS computational biology 10 (6), e1003679, 2014 | 85 | 2014 |
Paul RejtoExecutive Director, Translational Research, PfizerVerified email at pfizer.com
