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Chemmedchem|July 14, 2011
From activity cliffs to target-specific scoring models and pharmacophore hypothesesBirte Seebeck, Markus Wagener, Matthias RareyProteins|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|January 14, 2016
SIENA: Efficient Compilation of Selective Protein Binding Site EnsemblesStefan Bietz, Matthias RareyJournal of Chemical Information and Modeling|September 13, 2016
FSees: Customized Enumeration of Chemical Subspaces with Limited Main Memory ConsumptionFlorian Lauck, Matthias RareyJournal of Cheminformatics|June 28, 2011
Consistent two-dimensional visualization of protein-ligand complex seriesKatrin Stierand, Matthias RareyJournal of Computer-Aided Molecular Design|February 13, 2007
TrixX: structure-based molecule indexing for large-scale virtual screening in sublinear timeIngo Schellhammer, Matthias RareyJournal of Computational Chemistry|April 27, 2021
LSLOpt: An open-source implementation of the step-length controlled LSL-BFGS algorithmFlorian Flachsenberg, Matthias RareyJournal of Cheminformatics|March 20, 2010
Fast automated placement of polar hydrogen atoms in protein-ligand complexesTobias Lippert, Matthias RareyChemmedchem|August 12, 2006
FlexNovo: structure-based searching in large fragment spacesJörg Degen, Matthias RareyJournal of Chemical Information and Modeling|September 22, 2015
MONA 2: A Light Cheminformatics Platform for Interactive Compound Library ProcessingMatthias Hilbig, Matthias RareyPageof 16