about
KinMap: a web-based tool for interactive navigation through human kinome dataFast protein binding site comparison via an index-based screening technology.From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library.Exploiting structural information for drug-target assessment.ProteinsPlus: a web portal for structure analysis of macromolecules.Identification and Visualization of Kinase-Specific Subpockets.Combining global and local measures for structure-based druggability predictions.Analyzing the topology of active sites: on the prediction of pockets and subpockets.Predicting enzymatic function from global binding site descriptors.In silico methods - Computational alternatives to animal testing.DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment.Searching for substructures in fragment spaces.Protein pocket and ligand shape comparison and its application in virtual screening.Pocketome of human kinases: prioritizing the ATP binding sites of (yet) untapped protein kinases for drug discovery.Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular SurfacesTransition from Academia to Industry and BackOxazole-Bridged Combretastatin A-4 Derivatives with Tethered Hydroxamic Acids: Structure⁻Activity Relations of New Inhibitors of HDAC and/or Tubulin FunctionTeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and dataAdvances and Challenges in Computational Target PredictionTeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME WorkflowsProbing 2H-Indazoles as Templates for SGK1, Tie2, and SRC Kinase InhibitorsRevealing cytotoxic substructures in molecules using deep learning
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description
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հետազոտող
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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Andrea Volkamer
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P2456
P31
P496
0000-0002-3760-580X