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Journal of Computational Chemistry|October 24, 2002
Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validationAraz Jakalian, David B Jack, Christopher I BaylyChemmedchem|October 28, 2010
Development of specific "drug-like property" rules for carboxylate-containing oral drug candidatesAlexander Böcker, Pierre R Bonneau, Oliver Hucke, et al.Chemmedchem|March 2, 2011
Revealing atropisomer axial chirality in drug discoverySteven R LaPlante, Paul J Edwards, Lee D Fader, et al.Journal of Medicinal Chemistry|October 23, 2013
Ligand bioactive conformation plays a critical role in the design of drugs that target the hepatitis C virus NS3 proteaseSteven R LaPlante, Herbert Nar, Christopher T Lemke, et al.Bioorganic & Medicinal Chemistry Letters|January 14, 2009
Investigation on the role of the tetrazole in the binding of thiotetrazolylacetanilides with HIV-1 wild type and K103N/Y181C double mutant reverse transcriptasesAlexandre Gagnon, Serge Landry, René Coulombe, et al.Bioorganic & Medicinal Chemistry|February 20, 2007
Optimization and determination of the absolute configuration of a series of potent inhibitors of human papillomavirus type-11 E1-E2 protein-protein interaction: a combined medicinal chemistry, NMR and computational chemistry approachNathalie Goudreau, Dale R Cameron, Robert Déziel, et al.Journal of the American Chemical Society|October 15, 2010
Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5BSteven R LaPlante, James R Gillard, Araz Jakalian, et al.Journal of Chemical Information and Modeling|January 24, 2007
Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter spaceMarwen Naïm, Sathesh Bhat, Kathryn N Rankin, et al.Bioorganic & Medicinal Chemistry Letters|April 25, 2007
Scaffold hopping in the rational design of novel HIV-1 non-nucleoside reverse transcriptase inhibitorsJeff A O'Meara, Araz Jakalian, Steven LaPlante, et al.Journal of Medicinal Chemistry|September 13, 2013
Enantiomeric atropisomers inhibit HCV polymerase and/or HIV matrix: characterizing hindered bond rotations and target selectivitySteven R LaPlante, Pat Forgione, Colette Boucher, et al.Pageof 3