A density functional study of the hydrogen-bond network within the HIV-1 protease catalytic site cleft. - Suzanne W. Sirois; Emil I. Proynov; Jean-François Truchon; Christos M. Tsoukas; Dennis R. Salahub (J. Comput. Chem., 2003)

Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study. - Nohad Gresh; Sherif A. Kafafi; Jean-François Truchon; Dennis R. Salahub (J. Comput. Chem., 2004)

GLARE: A New Approach for Filtering Large Reagent Lists in Combinatorial Library Design Using Product Properties. - Jean-François Truchon; Christopher I. Bayly (J. Chem. Inf. Model., 2006)

Comparison of Topological, Shape, and Docking Methods in Virtual Screening. - Georgia B. McGaughey; Robert P. Sheridan; Christopher I. Bayly; J. Christopher Culberson; Constantine Kreatsoulas; Stacey Lindsley; Vladimir N. Maiorov; Jean-François Truchon; Wendy D. Cornell (J. Chem. Inf. Model., 2007)

Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem. - Jean-François Truchon; Christopher I. Bayly (J. Chem. Inf. Model., 2007)

Predictions of hydration free energies from continuum solvent with solute polarizable models: the SAMPL2 blind challenge. - Alexandre Meunier; Jean-François Truchon (J. Comput. Aided Mol. Des., 2010)

Using electronic polarization from the internal continuum (EPIC) for intermolecular interactions. - Jean-François Truchon; Anthony Nicholls; J. Andrew Grant; Radu I. Iftimie; Benoît Roux; Christopher I. Bayly (J. Comput. Chem., 2010)

Exploiting solvent effects in drug design and optimization. - Jean-François Truchon; Kristina Grabowski; Barbara Sander; Alain Ajamian (J. Cheminformatics, 2014)