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Journal of Computer-Aided Molecular Design|November 20, 2010
Theoretical studies on the interaction of partial agonists with the 5-HT2A receptorMaria Elena Silva, Ralf Heim, Andrea Strasser, et al.Journal of Computer-Aided Molecular Design|April 12, 2011
Understanding molecular structure from molecular mechanicsNorman L AllingerJournal of Computer-Aided Molecular Design|March 31, 2011
Machine learning study for the prediction of transdermal peptideEunkyoung Jung, Seung-Hoon Choi, Nam Kyung Lee, et al.Journal of Computer-Aided Molecular Design|July 1, 1997
QXP: powerful, rapid computer algorithms for structure-based drug designC McMartin, R S BohacekJournal of Computer-Aided Molecular Design|July 1, 1997
Time-efficient flexible superposition of medium-sized moleculesC Lemmen, T LengauerJournal of Computer-Aided Molecular Design|July 1, 1997
Multiple automatic base selection: protein-ligand docking based on incremental construction without manual interventionM Rarey, B Kramer, T LengauerJournal of Computer-Aided Molecular Design|May 1, 1997
Molecular modelling studies of substrate binding to the lipase from Rhizomucor mieheiA T Yagnik, J A Littlechild, N J TurnerJournal of Computer-Aided Molecular Design|May 1, 1997
Molecular modeling of cytochrome P450 3A4G D Szklarz, J R HalpertJournal of Computer-Aided Molecular Design|August 10, 2016
Blinded predictions of host-guest standard free energies of binding in the SAMPL5 challengeStefano Bosisio, Antonia S J S Mey, Julien MichelJournal of Computer-Aided Molecular Design|August 3, 2016
Docking pose selection by interaction pattern graph similarity: application to the D3R grand challenge 2015Inna Slynko, Franck Da Silva, Guillaume Bret, et al.Pageof 265