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Molecular Biosystems|August 3, 2016
Molecular dynamics simulations and modelling of the residue interaction networks in the BRAF kinase complexes with small molecule inhibitors: probing the allosteric effects of ligand-induced kinase dimerization and paradoxical activationG M Verkhivker
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|January 1, 1996
Empirical free energy calculations of human immunodeficiency virus type 1 protease crystallographic complexes. II. Knowledge-based ligand-protein interaction potentials applied to thermodynamic analysis of hydrophobic mutationsG M Verkhivker
Molecular Biosystems|September 20, 2017
Network-based modelling and percolation analysis of conformational dynamics and activation in the CDK2 and CDK4 proteins: dynamic and energetic polarization of the kinase lobes may determine divergence of the regulatory mechanismsG M Verkhivker
Proteins|October 21, 1998
Predicting structural effects in HIV-1 protease mutant complexes with flexible ligand docking and protein side-chain optimizationL Schaffer, G M Verkhivker
Molecular Biosystems|May 22, 2015
Small-world networks of residue interactions in the Abl kinase complexes with cancer drugs: topology of allosteric communication pathways can determine drug resistance effectsA Tse, G M Verkhivker
Proteins|July 1, 1997
Mean field analysis of FKBP12 complexes with FK506 and rapamycin: implications for a role of crystallographic water molecules in molecular recognition and specificityP A Rejto, G M Verkhivker
Proceedings of the National Academy of Sciences of the United States of America|January 9, 1996
A mean field model of ligand-protein interactions: implications for the structural assessment of human immunodeficiency virus type 1 protease complexes and receptor-specific bindingG M Verkhivker, P A Rejto
Proceedings of the National Academy of Sciences of the United States of America|August 20, 1996
Unraveling principles of lead discovery: from unfrustrated energy landscapes to novel molecular anchorsP A Rejto, G M Verkhivker
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|August 11, 1998
Molecular anchors with large stability gaps ensure linear binding free energy relationships for hydrophobic substituentsP A Rejto, G M Verkhivker
Proteins|July 1, 1997
Structural consensus in ligand-protein docking identifies recognition peptide motifs that bind streptavidinN K Shah, P A Rejto, G M Verkhivker
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