Comparison of 3D quantitative structure-activity relationship methods: Analysis of the in vitro antimalarial activity of 154 artemisinin analogues by hypothetical active-site lattice and comparative molecular field analysis. - John R. Woolfrey; Mitchell A. Avery; Arthur M. Doweyko (J. Comput. Aided Mol. Des., 1998)

Comparative Protein Modeling of 1-Deoxy-D-xylulose-5-phosphate Reductoisomerase Enzyme from Plasmodium falciparum: A Potential Target for Antimalarial Drug Discovery. - Nidhi Singh 002; Gwénaël Chevé; Mitchell A. Avery; Christopher R. McCurdy (J. Chem. Inf. Model., 2006)

Toward Mycobacterium tuberculosis DXR inhibitor design: homology modeling and molecular dynamics simulations. - Nidhi Singh 002; Mitchell A. Avery; Christopher R. McCurdy (J. Comput. Aided Mol. Des., 2007)

Comparative Modeling of DNA and RNA Polymerases from Moniliophthora perniciosa Mitochondrial Plasmid. - Bruno S. Andrade; Alex G. Taranto; Shaila C. S. Roessle; Aristóteles Góes-Neto; Mitchell A. Avery (BCBGC, 2008)

Probing the Structures of Leishmanial Farnesyl Pyrophosphate Synthases: Homology Modeling and Docking Studies. - Prasenjit Mukherjee; Prashant V. Desai; Anuradha Srivastava; Babu L. Tekwani; Mitchell A. Avery (J. Chem. Inf. Model., 2008)

Targeting the BH3 Domain Mediated Protein-Protein Interaction of Bcl-xL through Virtual Screening. - Prasenjit Mukherjee; Prashant V. Desai; Yu-Dong Zhou; Mitchell A. Avery (J. Chem. Inf. Model., 2010)

New Insights into the Binding Mode of Melanin Concentrating Hormone Receptor-1 Antagonists: Homology Modeling and Explicit Membrane Molecular Dynamics Simulation Study. - Mohamed A. Helal; Amar G. Chittiboyina; Mitchell A. Avery (J. Chem. Inf. Model., 2011)

Inhibitors of SARS-3CLpro: Virtual Screening, Biological Evaluation, and Molecular Dynamics Simulation Studies. - Prasenjit Mukherjee; Falgun Shah; Prashant V. Desai; Mitchell A. Avery (J. Chem. Inf. Model., 2011)

Identification of Novel Malarial Cysteine Protease Inhibitors Using Structure-Based Virtual Screening of a Focused Cysteine Protease Inhibitor Library. - Falgun Shah; Prasenjit Mukherjee; Jiri Gut; Jennifer Legac; Philip J. Rosenthal; Babu L. Tekwani; Mitchell A. Avery (J. Chem. Inf. Model., 2011)

Computer-Aided Drug Design of Falcipain Inhibitors: Virtual Screening, Structure-Activity Relationships, Hydration Site Thermodynamics, and Reactivity Analysis. - Falgun Shah; Jiri Gut; Jennifer Legac; Devleena Shivakumar; Woody Sherman; Philip J. Rosenthal; Mitchell A. Avery (J. Chem. Inf. Model., 2012)