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Rizzo, Robert C., Wang, De-Ping, Tirado-Rives, Julian, Jorgensen, William L. (2000) Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Sustiva through Computation of Resistance Profiles. Journal Of The American Chemical Society, 122 (51) 12898-12900 doi:10.1021/ja003113r

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Reference TypeJournal (article/letter/editorial)
TitleValidation of a Model for the Complex of HIV-1 Reverse Transcriptase with Sustiva through Computation of Resistance Profiles
JournalJournal Of The American Chemical Society
AuthorsRizzo, Robert C.Author
Wang, De-PingAuthor
Tirado-Rives, JulianAuthor
Jorgensen, William L.Author
Year2000 (December)Volume122
Issue51
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja003113rSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID1569312Long-form Identifiermindat:1:5:1569312:7
GUID0
Full ReferenceRizzo, Robert C., Wang, De-Ping, Tirado-Rives, Julian, Jorgensen, William L. (2000) Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Sustiva through Computation of Resistance Profiles. Journal Of The American Chemical Society, 122 (51) 12898-12900 doi:10.1021/ja003113r
Plain TextRizzo, Robert C., Wang, De-Ping, Tirado-Rives, Julian, Jorgensen, William L. (2000) Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Sustiva through Computation of Resistance Profiles. Journal Of The American Chemical Society, 122 (51) 12898-12900 doi:10.1021/ja003113r
In(2000, December) Journal Of The American Chemical Society Vol. 122 (51) American Chemical Society (ACS)

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Udier-Blagović, Marina, Tirado-Rives, Julian, Jorgensen, William L. (2003) Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Nonnucleoside Inhibitor TMC125. Journal Of The American Chemical Society, 125 (20) 6016-6017 doi:10.1021/ja034308c
Dodda, Leela S., Tirado-Rives, Julian, Jorgensen, William L. (2019) Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase. The Journal of Physical Chemistry B, 123 (8). 1741-1748 doi:10.1021/acs.jpcb.8b10341
Nichols, Sara E., Domaoal, Robert A., Thakur, Vinay V., Tirado-Rives, Julian, Anderson, Karen S., Jorgensen, William L. (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) 1272-1279 doi:10.1021/ci900068k
Barreiro, Gabriela, Guimarães, Cristiano R. W., Tubert-Brohman, Ivan, Lyons, Theresa M., Tirado-Rives, Julian, Jorgensen, William L. (2007) Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring. Journal of Chemical Information and Modeling, 47 (6) 2416-2428 doi:10.1021/ci700271z
Michel, Julien, Tirado-Rives, Julian, Jorgensen, William L. (2009) Energetics of Displacing Water Molecules from Protein Binding Sites: Consequences for Ligand Optimization. Journal Of The American Chemical Society, 131 (42) 15403-15411 doi:10.1021/ja906058w
Tirado-Rives, Julian, Jorgensen, William L. (1990) Molecular dynamics of proteins with the OPLS potential functions. Simulation of the third domain of silver pheasant ovomucoid in water. Journal Of The American Chemical Society, 112 (7) 2773-2781 doi:10.1021/ja00163a046
Jorgensen, William L., Bollini, Mariela, Thakur, Vinay V., Domaoal, Robert A., Spasov, Krasimir A., Anderson, Karen S. (2011) Efficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase. Journal Of The American Chemical Society, 133 (39) 15686-15696 doi:10.1021/ja2058583
Jorgensen, William L., Tirado-Rives, Julian (1988) The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin. Journal Of The American Chemical Society, 110 (6) 1657-1666 doi:10.1021/ja00214a001
Jorgensen, William L., Tirado-Rives, Julian (1997) Monte Carlo vs Molecular Dynamics for Conformational Sampling. The Journal of Physical Chemistry A, 101 (15). 2916 doi:10.1021/jp9702917
Ghahremanpour, Mohammad M., Saar, Anastasia, Tirado-Rives, Julian, Jorgensen, William L. (2023) Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease. Journal of Chemical Information and Modeling, 63 (16) 5309-5318 doi:10.1021/acs.jcim.3c00874
Jorgensen, William L., Tirado-Rives, Julian (1996) Monte Carlo vs Molecular Dynamics for Conformational Sampling. The Journal of Physical Chemistry, 100 (34). 14508-14513 doi:10.1021/jp960880x
 
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