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Journal of Computer-Aided Molecular Design|April 19, 2014
Theoretical studies on effective metal-to-ligand charge transfer characteristics of novel ruthenium dyes for dye sensitized solar cellsHuei-Tang Wang, Fadlilatul Taufany, Santhanamoorthi Nachimuthu, et al.Journal of Computer-Aided Molecular Design|December 13, 2007
Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discoveryAnn E Cleves, Ajay N JainJournal of Computer-Aided Molecular Design|December 7, 2007
Molecular dynamics studies of alpha-helix stability in fibril-forming peptidesErik Nordling, Yvonne Kallberg, Jan Johansson, et al.Journal of Computer-Aided Molecular Design|December 7, 2007
The effect of numerical error on the reproducibility of molecular geometry optimizationsChristopher I Williams, Miklos FeherJournal of Computer-Aided Molecular Design|November 30, 2007
Philip S. Magee: a life in QSARMarvin ChartonJournal of Computer-Aided Molecular Design|October 7, 2016
Docking-undocking combination applied to the D3R Grand Challenge 2015Sergio Ruiz-Carmona, Xavier BarrilJournal of Computer-Aided Molecular Design|November 1, 2016
Tools, techniques, organisation and culture of the CADD group at Sygnature DiscoverySteve A St-Gallay, Colin P Sambrook-SmithJournal of Computer-Aided Molecular Design|February 5, 2014
Impact of distance-based metric learning on classification and visualization model performance and structure-activity landscapesNatalia V Kireeva, Svetlana I Ovchinnikova, Sergey L Kuznetsov, et al.Journal of Computer-Aided Molecular Design|February 11, 2014
Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima methodHari S Muddana, Jian Yin, Neil V Sapra, et al.Journal of Computer-Aided Molecular Design|January 1, 1988
Computer simulation of biological interactions and reactivityJ J Wendoloski, Z R Wasserman, F R SalemmePageof 265