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Journal of Chemical Information and Modeling|June 15, 2007
SwiFT: an index structure for reduced graph descriptors in virtual screening and clusteringJ Robert Fischer, Matthias RareyMolecular Informatics|July 28, 2016
In Pursuit of Fully Flexible Protein-Ligand Docking: Modeling the Bilateral Mechanism of BindingAngela M Henzler, Matthias RareyJournal of Chemical Information and Modeling|September 28, 2022
Visualizing Generic Reaction PatternsUschi Dolfus, Hans Briem, Matthias RareyEuropean Journal of Medicinal Chemistry|December 22, 2018
NAOMInext - Synthetically feasible fragment growing in a structure-based design contextKai Sommer, Florian Flachsenberg, Matthias RareyJournal of Chemical Information and Modeling|February 19, 2014
The valence state combination model: a generic framework for handling tautomers and protonation statesSascha Urbaczek, Adrian Kolodzik, Matthias RareyJournal of Chemical Information and Modeling|February 3, 2017
RingDecomposerLib: An Open-Source Implementation of Unique Ring Families and Other Cycle BasesFlorian Flachsenberg, Niek Andresen, Matthias RareyJournal of Chemical Information and Modeling|March 11, 2024
Enhanced Calculation of Property Distributions in Chemical Fragment SpacesJustin Lübbers, Uta Lessel, Matthias RareyChemmedchem|July 14, 2011
From activity cliffs to target-specific scoring models and pharmacophore hypothesesBirte Seebeck, Markus Wagener, Matthias RareyJournal of Chemical Information and Modeling|September 3, 2021
Maximum Common Substructure Searching in Combinatorial Make-on-Demand Compound SpacesRobert Schmidt, Raphael Klein, Matthias RareyJournal of Computer-Aided Molecular Design|March 20, 2017
Ligand-based virtual screening under partial shape constraintsMathias M von Behren, Matthias RareyPageof 15