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Proteins|July 1, 1996
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 complexesG M Verkhivker, P A Rejto, D K Gehlhaar, et al.Chemistry & Biology|May 1, 1995
Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programmingD K Gehlhaar, G M Verkhivker, P A Rejto, et al.Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|June 25, 1999
Thermodynamics and kinetics of ligand-protein binding studied with the weighted histogram analysis method and simulated annealingD Bouzida, S Arthurs, A B Colson, et al.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 VerkhivkerProceedings 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 RejtoProceedings 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 VerkhivkerPacific 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 VerkhivkerJournal of Computer-Aided Molecular Design|December 29, 2000
Deciphering common failures in molecular docking of ligand-protein complexesG M Verkhivker, D Bouzida, D K Gehlhaar, et al.Journal of Molecular Recognition : JMR|December 28, 1999
Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactionsG M Verkhivker, P A Rejto, D Bouzida, et al.Nature|May 11, 1995
Visualization of fast energy flow and solvent caging in unimolecular dynamicsP A Rejto, E Bindewald, D ChandlerPageof 3