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Journal of Computer-Aided Molecular Design|December 1, 1995
Hydration in drug design. 2. Influence of local site surface shape on water bindingC S Poornima, P M DeanJournal of Computer-Aided Molecular Design|December 1, 1995
Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteinsC S Poornima, P M DeanJournal of Computer-Aided Molecular Design|January 1, 1997
Comparative molecular field analysis and molecular modeling studies of 20-(S)-camptothecin analogs as inhibitors of DNA topoisomerase I and anticancer/antitumor agentsS W Carrigan, P C Fox, M E Wall, et al.Journal of Computer-Aided Molecular Design|January 1, 1997
Objective models for steroid binding sites of human globulinsJ Schnitker, R Gopalaswamy, G M CrippenJournal of Computer-Aided Molecular Design|August 1, 1996
A proposed common spatial pharmacophore and the corresponding active conformations of some peptide leukotriene receptor antagonistsV Hariprasad, V M KulkarniJournal of Computer-Aided Molecular Design|August 1, 1996
Towards an understanding of the molecular basis of hydrophobicityR L ManceraJournal of Computer-Aided Molecular Design|January 8, 1999
Patenting computer-designed peptidesS Patel, I P Stott, M Bhakoo, et al.Journal of Computer-Aided Molecular Design|January 8, 1999
Do active site conformations of small ligands correspond to low free-energy solution structures?M Vieth, J D Hirst, C L BrooksJournal of Computer-Aided Molecular Design|January 8, 1999
Multivariate analysis of experimental and computational descriptors of molecular lipophilicityR Mannhold, G Cruciani, K Dross, et al.Journal of Computer-Aided Molecular Design|April 12, 2020
A remark on the efficiency of the double-system/single-box nonequilibrium approach in the SAMPL6 SAMPLing challengePiero ProcacciPageof 264