Gennady M. Verkhivker

Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

Daniel K. Gehlhaar, Gennady M. Verkhivker, Paul A. Rejto et al. · Chemistry & Biology · 1995 · 685 citations · Full text

Life Sciences, Medicinal Chemistry, Molecular Biology +17

Deciphering common failures in molecular docking of ligand-protein complexes

Gennady M. Verkhivker, Djamal Bouzida, Daniel K. Gehlhaar et al. · Journal of Computer-Aided Molecular Design · 2000 · 242 citations

Life Sciences, Chemistry, Molecular Biology +16

Empirical free energy calculations of ligand-protein crystallographic complexes. I. Knowledge-based ligand-protein interaction potentials applied to the prediction of human immunodeficiency virus 1 protease binding affinity

Gennady M. Verkhivker, Krzysztof Appelt, Stephan T. Freer et al. · Protein Engineering Design and Selection · 1995 · 162 citations

Life Sciences, Biochemistry, Biophysics +17

Energy Landscape Theory, Funnels, Specificity, and Optimal Criterion of Biomolecular Binding

Jin Wang, Gennady M. Verkhivker · Physical Review Letters · 2003 · 159 citations

Natural Sciences, Biochemistry, Biophysics +17

MOIL: A program for simulations of macromolecules

Ron Elber, Adrián E. Roitberg, Carlos Simmerling et al. · Computer Physics Communications · 1995 · 157 citations · Full text

Natural Sciences, Biophysics, Chemistry +17