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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

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Reference TypeJournal (article/letter/editorial)
TitleUnbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase
JournalThe Journal of Physical Chemistry B
AuthorsDodda, Leela S.Author
Tirado-Rives, JulianAuthor
Jorgensen, William L.Author
Year2019 (February 28)Volume123
Issue8
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpcb.8b10341Search in ResearchGate
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Mindat Ref. ID3891657Long-form Identifiermindat:1:5:3891657:7
GUID0
Full ReferenceDodda, 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
Plain TextDodda, 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
In(2019, February) The Journal of Physical Chemistry B Vol. 123 (8) American Chemical Society (ACS)

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Dodda, Leela S., Vilseck, Jonah Z., Tirado-Rives, Julian, Jorgensen, William L. (2017) 1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations. The Journal of Physical Chemistry B, 121 (15). 3864-3870 doi:10.1021/acs.jpcb.7b00272
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
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
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
Jorgensen, William L.; Tirado-Rives, Julian (2025) Free Energies of Solvation in Benzene and Hexafluorobenzene: Is Explicit Polarization Needed? The Journal of Physical Chemistry B, 129 (26). doi:10.1021/acs.jpcb.5c02405
(2019) Nucleoside reverse transcriptase inhibitors/nucleotide reverse transcriptase inhibitors. Reactions Weekly, 1741 (1) 181 doi:10.1007/s40278-019-58413-0
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
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
Ghahremanpour, Mohammad M., Tirado-Rives, Julian, Jorgensen, William L. (2022) Refinement of the Optimized Potentials for Liquid Simulations Force Field for Thermodynamics and Dynamics of Liquid Alkanes. The Journal of Physical Chemistry B, 126 (31) 5896-5907 doi:10.1021/acs.jpcb.2c03686
Jorgensen, William L., Ghahremanpour, Mohammad M., Saar, Anastasia, Tirado-Rives, Julian (2024) OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers. The Journal of Physical Chemistry B, 128 (1) 250-262 doi:10.1021/acs.jpcb.3c06602
 
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