A comparative docking study and the design of potentially selective MMP inhibitors. - Stephen Hanessian; Nicolas Moitessier; Eric Therrien (J. Comput. Aided Mol. Des., 2001)

Development of a Computational Tool to Rival Experts in the Prediction of Sites of Metabolism of Xenobiotics by P450s. - Valérie Campagna-Slater; Joshua Pottel; Eric Therrien; Louis-David Cantin; Nicolas Moitessier (J. Chem. Inf. Model., 2012)

Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with Forecaster, a Novel Platform for Drug Discovery. - Eric Therrien; Pablo Englebienne; Andrew G. Arrowsmith; Rodrigo Mendoza-Sanchez; Christopher R. Corbeil; Nathanael Weill; Valérie Campagna-Slater; Nicolas Moitessier (J. Chem. Inf. Model., 2012)

Docking Ligands into Flexible and Solvated Macromolecules. 6. Development and Application to the Docking of HDACs and other Zinc Metalloenzymes Inhibitors. - Joshua Pottel; Eric Therrien; James L. Gleason; Nicolas Moitessier (J. Chem. Inf. Model., 2014)

Docking Ligands into Flexible and Solvated Macromolecules, 7. Impact of Protein Flexibility and Water Molecules on Docking-Based Virtual Screening Accuracy. - Eric Therrien; Nathanael Weill; Anna Tomberg; Christopher R. Corbeil; Devin Lee; Nicolas Moitessier (J. Chem. Inf. Model., 2014)

A Computational Physics-based Approach to Predict Unbound Brain-to-Plasma Partition Coefficient, Kp,uu. - Morgan Lawrenz; Mats Svensson; Mitsunori Kato; Karen H. Dingley; Jackson Chief Elk; Zhe Nie; Yefen Zou; Zachary Kaplan; H. Rachel Lagiakos; Hideyuki Igawa; Eric Therrien (J. Chem. Inf. Model., 2023)