BioDrugScreen: a computational drug design resource for ranking molecules docked to the human proteome. - Liwei Li 005; Khuchtumur Bum-Erdene; Peter H. Baenziger; Joshua J. Rosen; Jamison R. Hemmert; Joy A. Nellis; Marlon E. Pierce; Samy O. Meroueh (Nucleic Acids Res., 2010)

Target-Specific Support Vector Machine Scoring in Structure-Based Virtual Screening: Computational Validation, In Vitro Testing in Kinases, and Effects on Lung Cancer Cell Proliferation. - Liwei Li 005; May Khanna; Inha Jo; Fang Wang; Nicole M. Ashpole; Andy Hudmon; Samy O. Meroueh (J. Chem. Inf. Model., 2011)

Support Vector Regression Scoring of Receptor-Ligand Complexes for Rank-Ordering and Virtual Screening of Chemical Libraries. - Liwei Li 005; Bo Wang; Samy O. Meroueh (J. Chem. Inf. Model., 2011)

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)

Effect of Binding Pose and Modeled Structures on SVMGen and GlideScore Enrichment of Chemical Libraries. - David Xu 004; Samy O. Meroueh (J. Chem. Inf. Model., 2016)

A Computational Investigation of Small-Molecule Engagement of Hot Spots at Protein-Protein Interaction Interfaces. - David Xu 004; Yubing Si; Samy O. Meroueh (J. Chem. Inf. Model., 2017)