Showing results (71-80 of 141) with videos related to
Sort By:
Pageof 15
Bioinformatics (Oxford, England)|August 1, 2020
GeoMine: interactive pattern mining of protein-ligand interfaces in the Protein Data BankKonrad Diedrich, Joel Graef, Katrin Schöning-Stierand, et al.Journal of Chemical Information and Modeling|January 8, 2016
Feasibility of Active Machine Learning for Multiclass Compound ClassificationTobias Lang, Florian Flachsenberg, Ulrike von Luxburg, et al.Journal of Computer-Aided Molecular Design|July 5, 2014
An integrated approach to knowledge-driven structure-based virtual screeningAngela M Henzler, Sascha Urbaczek, Matthias Hilbig, et al.Journal of Chemical Information and Modeling|August 14, 2015
Discriminative Chemical Patterns: Automatic and Interactive DesignStefan Bietz, Karen T Schomburg, Matthias Hilbig, et al.Journal of Chemical Information and Modeling|December 1, 2020
A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand PosesFlorian Flachsenberg, Agnes Meyder, Kai Sommer, et al.Journal of Cheminformatics|August 30, 2013
MONA - Interactive manipulation of molecule collectionsMatthias Hilbig, Sascha Urbaczek, Inken Groth, et al.Journal of Chemical Information and Modeling|January 28, 2017
Index-Based Searching of Interaction Patterns in Large Collections of Protein-Ligand InterfacesTherese Inhester, Stefan Bietz, Matthias Hilbig, et al.Journal of Chemical Information and Modeling|June 9, 2025
SmartChemist─Simplifying Communication About Organic Chemical StructuresTorben Gutermuth, Patrick Penner, Jochen Sieg, et al.Journal of Chemical Information and Modeling|December 14, 2011
Combining global and local measures for structure-based druggability predictionsAndrea Volkamer, Daniel Kuhn, Thomas Grombacher, et al.Journal of Chemical Information and Modeling|January 26, 2022
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial IntelligenceTobias Harren, Hans Matter, Gerhard Hessler, et al.Pageof 15