Molecular Recognition in a Diverse Set of Protein-Ligand Interactions Studied with Molecular Dynamics Simulations and End-Point Free Energy Calculations. - Bo Wang; Liwei Li 005; Thomas D. Hurley; Samy O. Meroueh (J. Chem. Inf. Model., 2013)

Enrichment of Chemical Libraries Docked to Protein Conformational Ensembles and Application to Aldehyde Dehydrogenase 2. - Bo Wang; Cameron D. Buchman; Liwei Li 005; Thomas D. Hurley; Samy O. Meroueh (J. Chem. Inf. Model., 2014)