G M Verkhivker

Towards understanding the mechanisms of molecular recognition by computer simulations of ligand–protein interactions

Gennady M Verkhivker, D K Gehlhaar, D Bouzida, 1999, Journal of molecular recognition : JMR.

Predicting structural effects in HIV‐1 protease mutant complexes with flexible ligand docking and protein side‐chain optimization

Gennady M Verkhivker, L. Schaffer, G M Verkhivker, 1998, Proteins.

A mean field model of ligand-protein interactions: implications for the structural assessment of human immunodeficiency virus type 1 protease complexes and receptor-specific binding.

G M Verkhivker, P A Rejto, 1996, Proceedings of the National Academy of Sciences of the United States of America.

Exploring the energy landscapes of molecular recognition by a genetic algorithm: analysis of the requirements for robust docking of HIV-1 protease and FKBP-12 complexes.

Gennady M Verkhivker, D K Gehlhaar, P. Rejto, 1996, Proteins.

Unraveling principles of lead discovery: from unfrustrated energy landscapes to novel molecular anchors.

Gennady M Verkhivker, P. Rejto, G M Verkhivker, 1996, Proceedings of the National Academy of Sciences of the United States of America.

Structural consensus in ligand‐protein docking identifies recognition peptide motifs that bind streptavidin

G M Verkhivker, P A Rejto, N K Shah, 1997, Proteins.

Mean field analysis of FKBP12 complexes with FK506 and rapamycin: Implications for a role of crystallographic water molecules in molecular recognition and specificity

Gennady M Verkhivker, P. Rejto, G M Verkhivker, 1997, Proteins.

Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: Structural analysis of the peptide complexes with SH2 domains

Gennady M Verkhivker, D K Gehlhaar, D Bouzida, 2001, Proteins.