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Methods in Molecular Biology (Clifton, N.J.)|December 21, 2011
Analysis of protein binding sites by computational solvent mappingDavid R Hall, Dima Kozakov, Sandor VajdaProteins|June 19, 2013
Sampling and scoring: a marriage made in heavenSandor Vajda, David R Hall, Dima KozakovTrends in Pharmacological Sciences|November 6, 2015
Lessons from Hot Spot Analysis for Fragment-Based Drug DiscoveryDavid R Hall, Dima Kozakov, Adrian Whitty, et al.Current Opinion in Structural Biology|March 31, 2009
Convergence and combination of methods in protein-protein dockingSandor Vajda, Dima KozakovJournal of Chemical Information and Modeling|July 10, 2012
Relationship between hot spot residues and ligand binding hot spots in protein-protein interfacesBrandon S Zerbe, David R Hall, Sandor Vajda, et al.Bioinformatics (Oxford, England)|March 12, 2013
FTFlex: accounting for binding site flexibility to improve fragment-based identification of druggable hot spotsLaurie E Grove, David R Hall, Dmitri Beglov, et al.Bioinformatics (Oxford, England)|July 1, 2016
Accounting for pairwise distance restraints in FFT-based protein-protein dockingBing Xia, Sandor Vajda, Dima KozakovPlos Computational Biology|October 3, 2014
Evidence of conformational selection driving the formation of ligand binding sites in protein-protein interfacesTanggis Bohnuud, Dima Kozakov, Sandor VajdaJournal of Chemical Information and Modeling|December 8, 2011
Hot spot analysis for driving the development of hits into leads in fragment-based drug discoveryDavid R Hall, Chi Ho Ngan, Brandon S Zerbe, et al.Current Opinion in Structural Biology|May 23, 2026
From memorization to generalization: Why physics will improve machine learning -based prediction of protein complexesErnest Glukhov, Sandor Vajda, Dima KozakovPageof 33