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Journal of Computer-Aided Molecular Design|May 18, 2000
Fast prediction and visualization of protein binding pockets with PASSG P Brady, P F StoutenJournal of Computer-Aided Molecular Design|August 10, 2001
Predicting sequences and structures of MHC-binding peptides: a computational combinatorial approachJ Zen, H R Treutlein, G B RudyJournal of Computer-Aided Molecular Design|March 26, 2003
The consequences of translational and rotational entropy lost by small molecules on binding to proteinsChristopher W Murray, Marcel L VerdonkJournal of Computer-Aided Molecular Design|October 29, 2002
Design and synthesis of type-III mimetics of ShK toxinJonathan B Baell, Andrew J Harvey, Raymond S NortonJournal of Computer-Aided Molecular Design|October 29, 2002
Quantum chemical studies on tautomerism of barbituric acid in gas phase and in solutionK Senthilkumar, P KolandaivelJournal of Computer-Aided Molecular Design|June 27, 2003
Similarity based SAR (SIBAR) as tool for early ADME profilingChristian Klein, Dominik Kaiser, Stephan Kopp, et al.Journal of Computer-Aided Molecular Design|June 27, 2003
Development of biologically active compounds by combining 3D QSAR and structure-based design methodsWolfgang SipplJournal of Computer-Aided Molecular Design|June 27, 2003
Protein Alpha Shape Similarity Analysis (PASSA): a new method for mapping protein binding sites. Application in the design of a selective inhibitor of tyrosine kinase 2Kristin Tøndel, Endre Anderssen, Finn DrabløsJournal of Computer-Aided Molecular Design|May 15, 2012
Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data setJens Reinisch, Andreas Klamt, Michael DiedenhofenJournal of Computer-Aided Molecular Design|May 10, 2012
Evaluation of DOCK 6 as a pose generation and database enrichment toolScott R Brozell, Sudipto Mukherjee, Trent E Balius, et al.Pageof 265