Showing results (2401-2410 of 2,646) with videos related to
Sort By:
Pageof 265
Journal of Computer-Aided Molecular Design|August 1, 1992
Quantum chemical study on the interaction of some bisphosphonates and Ca2+: the role of molecular electrostatic potentials in the prediction of binding geometryJ P Björkroth, M Peräkylä, T A Pakkanen, et al.Journal of Computer-Aided Molecular Design|August 1, 1992
Automated site-directed drug design: the generation of a basic set of fragments to be used for automated structure assemblyP L Chau, P M DeanJournal of Computer-Aided Molecular Design|August 1, 1992
Automated site-directed drug design: an assessment of the transferability of atomic residual charges (CNDO) for molecular fragmentsP L Chau, P M DeanJournal of Computer-Aided Molecular Design|November 6, 2009
Molecular docking and QSAR of aplyronine A and analogues: potent inhibitors of actinAbrar Hussain, James L Melville, Jonathan D HirstJournal of Computer-Aided Molecular Design|November 18, 2005
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structuresA Varnek, D Fourches, F Hoonakker, et al.Journal of Computer-Aided Molecular Design|April 1, 1992
In search of new lead compounds for trypanosomiasis drug design: a protein structure-based linked-fragment approachC L Verlinde, G Rudenko, W G HolJournal of Computer-Aided Molecular Design|April 1, 1992
Conformational search by potential energy annealing: algorithm and application to cyclosporin AR C van Schaik, W F van Gunsteren, H J BerendsenJournal of Computer-Aided Molecular Design|October 27, 2005
Similarity-based descriptors (SIBAR)--a tool for safe exchange of chemical information?Dominik Kaiser, Barbara Zdrazil, Gerhard F EckerJournal of Computer-Aided Molecular Design|October 19, 2005
Hydrophobic molecular similarity from MST fractional contributions to the octanol/water partition coefficientJordi Muñoz-Muriedas, Samantha Perspicace, Nuria Bech, et al.Journal of Computer-Aided Molecular Design|October 19, 2005
Scoring functions--the first 100 yearsJeremy R H TamePageof 265