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2010 – 2019
- 2012
[j9]Falgun Shah, Jiri Gut, Jennifer Legac, Devleena Shivakumar, Woody Sherman
, Philip J. Rosenthal, Mitchell A. Avery:
Computer-Aided Drug Design of Falcipain Inhibitors: Virtual Screening, Structure-Activity Relationships, Hydration Site Thermodynamics, and Reactivity Analysis. J. Chem. Inf. Model. 52(3): 696-710 (2012)- 2011
- [j8]Mohamed A. Helal, Amar G. Chittiboyina, Mitchell A. Avery:
New Insights into the Binding Mode of Melanin Concentrating Hormone Receptor-1 Antagonists: Homology Modeling and Explicit Membrane Molecular Dynamics Simulation Study. J. Chem. Inf. Model. 51(3): 635-646 (2011) - [j7]Falgun Shah, Prasenjit Mukherjee, Jiri Gut, Jennifer Legac, Philip J. Rosenthal, Babu L. Tekwani, Mitchell A. Avery:
Identification of Novel Malarial Cysteine Protease Inhibitors Using Structure-Based Virtual Screening of a Focused Cysteine Protease Inhibitor Library. J. Chem. Inf. Model. 51(4): 852-864 (2011) - [j6]Prasenjit Mukherjee, Falgun Shah, Prashant V. Desai, Mitchell A. Avery:
Inhibitors of SARS-3CLpro: Virtual Screening, Biological Evaluation, and Molecular Dynamics Simulation Studies. J. Chem. Inf. Model. 51(6): 1376-1392 (2011) - 2010
- [j5]Prasenjit Mukherjee, Prashant V. Desai, Yu-Dong Zhou, Mitchell A. Avery:
Targeting the BH3 Domain Mediated Protein-Protein Interaction of Bcl-xL through Virtual Screening. J. Chem. Inf. Model. 50(5): 906-923 (2010)
2000 – 2009
- 2008
- [j4]Prasenjit Mukherjee, Prashant V. Desai, Anuradha Srivastava, Babu L. Tekwani, Mitchell A. Avery:
Probing the Structures of Leishmanial Farnesyl Pyrophosphate Synthases: Homology Modeling and Docking Studies. J. Chem. Inf. Model. 48(5): 1026-1040 (2008) - [c1]Bruno S. Andrade, Alex G. Taranto, Shaila C. S. Roessle, Aristóteles Góes-Neto, Mitchell A. Avery:
Comparative Modeling of DNA and RNA Polymerases from Moniliophthora perniciosa Mitochondrial Plasmid. BCBGC 2008: 81-86 - 2007
- [j3]Nidhi Singh, Mitchell A. Avery, Christopher R. McCurdy:
Toward Mycobacterium tuberculosis DXR inhibitor design: homology modeling and molecular dynamics simulations. J. Comput. Aided Mol. Des. 21(9): 511-522 (2007) - 2006
- [j2]Nidhi Singh, Gwénaël Chevé, Mitchell A. Avery, Christopher R. McCurdy:
Comparative Protein Modeling of 1-Deoxy-D-xylulose-5-phosphate Reductoisomerase Enzyme from Plasmodium falciparum: A Potential Target for Antimalarial Drug Discovery. J. Chem. Inf. Model. 46(3): 1360-1370 (2006)
1990 – 1999
- 1998
- [j1]John R. Woolfrey, Mitchell A. Avery, Arthur M. Doweyko:
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. J. Comput. Aided Mol. Des. 12(2): 165-181 (1998)
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