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The last 5 uploaded publications
Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents
Mariela Bollini, Robert A. Domaoal, Vinay V. Thakur, Ricardo Gallardo‐Macias, Krasimir A. Spasov, Karen S. Anderson, William L. Jorgensen (2011). Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents. Journal of Medicinal Chemistry, 54(24), pp. 8582-8591, DOI: 10.1021/jm201134m.
Article347 days agoOptimization of Azoles as Anti-Human Immunodeficiency Virus Agents Guided by Free-Energy Calculations
Jacob G. Zeevaart, Ligong Wang, Vinay V. Thakur, Cheryl S. Leung, Julian Tirado‐Rives, Christopher M. Bailey, Robert A. Domaoal, Karen S. Anderson, William L. Jorgensen (2008). Optimization of Azoles as Anti-Human Immunodeficiency Virus Agents Guided by Free-Energy Calculations. Journal of the American Chemical Society, 130(29), pp. 9492-9499, DOI: 10.1021/ja8019214.
Article347 days agoEfficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase
William L. Jorgensen, Mariela Bollini, Vinay V. Thakur, Robert A. Domaoal, Krasimir A. Spasov, Karen S. Anderson (2011). Efficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase. Journal of the American Chemical Society, 133(39), pp. 15686-15696, DOI: 10.1021/ja2058583.
Article347 days agoOptimization of pyrimidinyl- and triazinyl-amines as non-nucleoside inhibitors of HIV-1 reverse transcriptase
Vinay V. Thakur, Joseph T. Kim, Andrew D. Hamilton, Christopher M. Bailey, Robert A. Domaoal, Ligong Wang, Karen S. Anderson, William L. Jorgensen (2006). Optimization of pyrimidinyl- and triazinyl-amines as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorganic & Medicinal Chemistry Letters, 16(21), pp. 5664-5667, DOI: 10.1016/j.bmcl.2006.08.037.
Article347 days agoDiscovery of Wild-Type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures
Sara E. Nichols, Robert A. Domaoal, Vinay V. Thakur, Julian Tirado‐Rives, Karen S. Anderson, William L. Jorgensen (2009). Discovery of Wild-Type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures. Journal of Chemical Information and Modeling, 49(5), pp. 1272-1279, DOI: 10.1021/ci900068k.
Article347 days ago