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Journal of Computer-Aided Molecular Design|June 25, 2008
Structure-based design of Aurora A & B inhibitorsAnders Poulsen, Anthony William, Angeline Lee, et al.Journal of Computer-Aided Molecular Design|July 30, 2008
Using a staged multi-objective optimization approach to find selective pharmacophore modelsRobert D Clark, Edmond AbrahamianJournal of Computer-Aided Molecular Design|April 1, 1991
Molecular structure matching by simulated annealing. III. The incorporation of null correspondences into the matching problemM T Barakat, P M DeanJournal of Computer-Aided Molecular Design|September 1, 1989
GEOM: a new tool for molecular modelling based on distance geometry calculations with NMR dataM Sanner, A Widmer, H Senn, et al.Journal of Computer-Aided Molecular Design|July 8, 2020
An activity prediction model for steroidal and triterpenoidal inhibitors of Acetylcholinesterase enzymeJosé L Borioni, Valeria Cavallaro, Adriana B Pierini, et al.Journal of Computer-Aided Molecular Design|July 9, 2020
A binding mode hypothesis for prothioconazole binding to CYP51 derived from first principles quantum chemistryMichael Edmund Beck, Jacopo Negroni, Svend Matthiesen, et al.Journal of Computer-Aided Molecular Design|February 21, 2015
Time dependent analysis of assay comparability: a novel approach to understand intra- and inter-site variability over timeSusanne Winiwarter, Brian Middleton, Barry Jones, et al.Journal of Computer-Aided Molecular Design|February 23, 2015
A simple, fast and convenient new method for predicting the stability of nitro compoundsXueli Zhang, Xuedong GongJournal of Computer-Aided Molecular Design|June 1, 1989
A molecular modeling study on binding of drugs to calmodulinH D Höltje, M HenseJournal of Computer-Aided Molecular Design|July 14, 2020
Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensemblesIsaias Lans, Karen Palacio-Rodríguez, Claudio N Cavasotto, et al.Pageof 265