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Journal of Computer-Aided Molecular Design|June 1, 1993
Use of the hydrogen bond potential function in a comparative molecular field analysis (CoMFA) on a set of benzodiazepinesK H Kim, G Greco, E Novellino, et al.Journal of Computer-Aided Molecular Design|June 1, 1993
A preliminary 3D model for cytochrome P450 2D6 constructed by homology model buildingL M Koymans, N P Vermeulen, A Baarslag, et al.Journal of Computer-Aided Molecular Design|June 1, 1993
Peptide mimetics as enzyme inhibitors: use of free energy perturbation calculations to evaluate isosteric replacement for amide bonds in a potent HIV protease inhibitorP Cieplak, P A KollmanJournal of Computer-Aided Molecular Design|June 1, 1996
A structural and energetics analysis of the binding of a series of N-acetylneuraminic-acid-based inhibitors to influenza virus sialidaseN R Taylor, M von ItzsteinJournal of Computer-Aided Molecular Design|June 1, 1996
Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniquesF H Allen, S E Harris, R TaylorJournal of Computer-Aided Molecular Design|February 1, 1996
Similarity and complementarity of molecular shapes: applicability of a topological analysis approachL Leherte, T Latour, D P VercauterenJournal of Computer-Aided Molecular Design|February 1, 1996
Solution conformation by NMR and molecular modeling of three sulfide-free somatostatin octapeptide analogs compared to angiopeptinP Hennig, E Raimbaud, C Thurieau, et al.Journal of Computer-Aided Molecular Design|December 1, 1995
Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactionsC S Poornima, P M DeanJournal of Computer-Aided Molecular Design|October 11, 2016
Combining molecular dynamics simulation and ligand-receptor contacts analysis as a new approach for pharmacophore modeling: beta-secretase 1 and check point kinase 1 as case studiesMa'mon M Hatmal, Shadi Jaber, Mutasem O TahaJournal of Computer-Aided Molecular Design|November 3, 2016
Computer-aided drug discovery research at a global contract research organizationDouglas B KitchenPageof 264