Showing results (41-50 of 141) with videos related to
Sort By:
Pageof 15
Journal of Computational Chemistry|August 23, 2012
Fast force field-based optimization of protein-ligand complexes with graphics processorLennart Heinzerling, Robert Klein, Matthias RareyJournal of Chemical Information and Modeling|December 22, 2009
LoFT: similarity-driven multiobjective focused library designJ Robert Fischer, Uta Lessel, Matthias RareyJournal of Chemical Information and Modeling|December 5, 2012
Searching for substructures in fragment spacesHans-Christian Ehrlich, Andrea Volkamer, Matthias RareyJournal of Chemical Information and Computer Sciences|May 25, 2004
Automated drawing of structural molecular formulas under constraintsPatrick C Fricker, Marcus Gastreich, Matthias RareyJournal of Chemical Information and Modeling|August 19, 2011
Improving similarity-driven library design: customized matching and regioselective feature treesJ Robert Fischer, Uta Lessel, Matthias RareyDrug Discovery Today|February 14, 2013
Interactive design of generic chemical patternsKaren T Schomburg, Lars Wetzer, Matthias RareyDrug Discovery Today|February 6, 2004
Novel technologies for virtual screeningThomas Lengauer, Christian Lemmen, Matthias Rarey, et al.Journal of Cheminformatics|April 4, 2014
Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexesStefan Bietz, Sascha Urbaczek, Benjamin Schulz, et al.Journal of Chemical Information and Modeling|October 16, 2010
Analyzing the topology of active sites: on the prediction of pockets and subpocketsAndrea Volkamer, Axel Griewel, Thomas Grombacher, et al.Journal of Chemical Information and Modeling|October 1, 2009
Conformational sampling for large-scale virtual screening: accuracy versus ensemble sizeAxel Griewel, Ole Kayser, Jochen Schlosser, et al.Pageof 15