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Molecular Informatics|November 22, 2016
The Art of Compiling Protein Binding Site EnsemblesStefan Bietz, Rainer Fährrolfes, Matthias RareyJournal of Chemical Information and Modeling|March 6, 2019
In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual ScreeningJochen Sieg, Florian Flachsenberg, Matthias RareyJournal of Chemical Information and Modeling|July 12, 2012
Unique ring families: a chemically meaningful description of molecular ring topologiesAdrian Kolodzik, Sascha Urbaczek, Matthias RareyJournal of Chemical Information and Modeling|October 21, 2020
Topological Similarity Search in Large Combinatorial Fragment SpacesLouis Bellmann, Patrick Penner, Matthias RareyChemmedchem|December 7, 2017
Exploring Structure-Activity Relationships with Three-Dimensional Matched Molecular Pairs-A ReviewEmanuel S R Ehmki, Matthias RareyJournal of Chemical Information and Modeling|June 2, 2022
Calculating and Optimizing Physicochemical Property Distributions of Large Combinatorial Fragment SpacesLouis Bellmann, Raphael Klein, Matthias RareyJournal of Chemical Information and Modeling|July 22, 2022
Synthesis-Aware Generation of Structural AnaloguesUschi Dolfus, Hans Briem, Matthias RareyJournal of Computer-Aided Molecular Design|June 29, 2007
Exploring fragment spaces under multiple physicochemical constraintsJuri Pärn, Jörg Degen, Matthias RareyJournal of Chemical Information and Modeling|October 26, 2019
Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph EnumerationLouis Bellmann, Patrick Penner, Matthias RareyJournal of Chemical Information and Modeling|May 2, 2023
Binding Site Detection Remastered: Enabling Fast, Robust, and Reliable Binding Site Detection and Descriptor Calculation with DoGSite3Joel Graef, Christiane Ehrt, Matthias RareyPageof 15