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Journal of Computer-Aided Molecular Design|April 3, 2010
Combinatorial-computational-chemoinformatics (C3) approach to finding and analyzing low-energy tautomersMaciej Haranczyk, Maciej GutowskiJournal of Computer-Aided Molecular Design|April 3, 2010
Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolismRayomand J Unwalla, Jason B Cross, Sumeet Salaniwal, et al.Journal of Computer-Aided Molecular Design|May 29, 2010
Prediction of protein-ligand binding affinity by free energy simulations: assumptions, pitfalls and expectationsJulien Michel, Jonathan W EssexJournal of Computer-Aided Molecular Design|June 1, 2010
Tautomerism in large databasesMarkus Sitzmann, Wolf-Dietrich Ihlenfeldt, Marc C NicklausJournal of Computer-Aided Molecular Design|September 15, 2006
Pharmacophore model for bile acids recognition by the FPR receptorCristina Ferrari, Antonio Macchiarulo, Gabriele Costantino, et al.Journal of Computer-Aided Molecular Design|March 7, 2007
Antitumor agents 252. Application of validated QSAR models to database mining: discovery of novel tylophorine derivatives as potential anticancer agentsShuxing Zhang, Linyi Wei, Ken Bastow, et al.Journal of Computer-Aided Molecular Design|June 23, 2007
Computational assessment of synthetic proceduresJonathan M Goodman, Ingrid M SocorroJournal of Computer-Aided Molecular Design|June 30, 2007
Development of in silico models for human liver microsomal stabilityPil H Lee, Lourdes Cucurull-Sanchez, Jing Lu, et al.Journal of Computer-Aided Molecular Design|June 13, 2009
Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidaseMelissa R Landon, Raquel L Lieberman, Quyen Q Hoang, et al.Journal of Computer-Aided Molecular Design|June 18, 2009
OpenCDLig: a free web application for sharing resources about cyclodextrin/ligand complexesRoberto Esposito, Giuseppe Ermondi, Giulia CaronPageof 263