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Journal of Chemical Information and Modeling|March 6, 2015
Evidence of water molecules--a statistical evaluation of water molecules based on electron densityEva Nittinger, Nadine Schneider, Gudrun Lange, et al.Journal of Chemical Information and Modeling|March 12, 2024
Database-Driven Identification of Structurally Similar Protein-Protein InterfacesJoel Graef, Christiane Ehrt, Thorben Reim, et al.Journal of Chemical Information and Modeling|January 20, 2022
Comparison of Combinatorial Fragment Spaces and Its Application to Ultralarge Make-on-Demand Compound CatalogsLouis Bellmann, Patrick Penner, Marcus Gastreich, et al.Proteins|November 29, 2007
Modeling of metal interaction geometries for protein-ligand dockingBirte Seebeck, Ingo Reulecke, Andreas Kämper, et al.Journal of Chemical Information and Modeling|November 1, 2023
Full Modification Control over Retrosynthetic Routes for Guided Optimization of Lead StructuresUschi Dolfus, Hans Briem, Torben Gutermuth, et al.Journal of Chemical Information and Modeling|June 8, 2012
TFD: Torsion Fingerprints as a new measure to compare small molecule conformationsTanja Schulz-Gasch, Christin Schärfer, Wolfgang Guba, et al.Journal of Chemical Information and Modeling|December 16, 2020
Disconnected Maximum Common Substructures under ConstraintsRobert Schmidt, Florian Krull, Anna Lina Heinzke, et al.Journal of Chemical Information and Modeling|December 14, 2011
Design of combinatorial libraries for the exploration of virtual hits from fragment space searches with LoFTUta Lessel, Bernd Wellenzohn, J Robert Fischer, et al.Journal of Chemical Information and Modeling|February 20, 2007
Recore: a fast and versatile method for scaffold hopping based on small molecule crystal structure conformationsPatrick Maass, Tanja Schulz-Gasch, Martin Stahl, et al.Journal of Computer-Aided Molecular Design|August 22, 2002
Flexible docking under pharmacophore type constraintsSally A Hindle, Matthias Rarey, Christian Buning, et al.Pageof 15