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Bioinformatics (Oxford, England)|May 26, 2012
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessmentAndrea Volkamer, Daniel Kuhn, Friedrich Rippmann, et al.Proteins|November 15, 2012
Predicting enzymatic function from global binding site descriptorsAndrea Volkamer, Daniel Kuhn, Friedrich Rippmann, et al.Journal of Chemical Information and Modeling|December 18, 2023
Redocking the PDBFlorian Flachsenberg, Christiane Ehrt, Torben Gutermuth, et al.Journal of Computer-Aided Molecular Design|July 29, 2023
PoseEdit: enhanced ligand binding mode communication by interactive 2D diagramsKonrad Diedrich, Bennet Krause, Ole Berg, et al.Journal of Chemical Information and Modeling|June 23, 2026
PegaPlus─Interactive Machine Learning by Human Observation for Efficient Clustering and Analysis of Structure-Activity DataRainer Fährrolfes, Jochen Sieg, Florian Flachsenberg, et al.Journal of Computer-Aided Molecular Design|November 23, 2022
Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophoresChristian Meyenburg, Uschi Dolfus, Hans Briem, et al.Journal of Chemical Information and Modeling|June 12, 2013
Searching for recursively defined generic chemical patterns in nonenumerated fragment spacesHans-Christian Ehrlich, Angela M Henzler, Matthias RareyMolecular Informatics|August 2, 2016
Nearly no Scoring Function Without a Hansch-AnalysisNadine Schneider, Robert Klein, Gudrun Lange, et al.Journal of Chemical Information and Modeling|December 19, 2015
Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small MoleculesWolfgang Guba, Agnes Meyder, Matthias Rarey, et al.Journal of Chemical Information and Modeling|April 5, 2023
Modeling with Alternate Locations in X-ray Protein StructuresTorben Gutermuth, Jochen Sieg, Tim Stohn, et al.Pageof 15