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Journal of Computer-Aided Molecular Design|July 15, 2000
Pseudoreceptor model for ryanodine derivatives at calcium release channelsK J SchleiferJournal of Computer-Aided Molecular Design|December 29, 2000
Deciphering common failures in molecular docking of ligand-protein complexesG M Verkhivker, D Bouzida, D K Gehlhaar, et al.Journal of Computer-Aided Molecular Design|December 20, 2002
Multiobjective optimization of combinatorial librariesD K AgrafiotisJournal of Computer-Aided Molecular Design|December 20, 2002
Current trends in lead discovery: are we looking for the appropriate properties?Tudor I OpreaJournal of Computer-Aided Molecular Design|December 20, 2002
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selectionAlexander Golbraikh, Alexander TropshaJournal of Computer-Aided Molecular Design|December 20, 2002
Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid librariesJürgen BajorathJournal of Computer-Aided Molecular Design|June 1, 1993
The use of an algorithmic method for small molecule superimpositions in the design of antiviral agentsG Diana, E P Jaeger, M L Peterson, et al.Journal of Computer-Aided Molecular Design|December 1, 1996
The measurement of molecular diversity: a three-dimensional approachD ChapmanJournal of Computer-Aided Molecular Design|December 1, 1996
The comparison of geometric and electronic properties of molecular surfaces by neural networks: application to the analysis of corticosteroid-binding globulin activity of steroidsS Anzali, G Barnickel, M Krug, et al.Journal of Computer-Aided Molecular Design|December 1, 1996
Mechanism of action of aspartic proteinases: application of transition-state analogue theoryS Ołdziej, J CiarkowskiPageof 264