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Energetic effects for observed and unobserved HIV-1 reverse transcriptase mutations of residues L100, V106, and Y181 in the presence of nevirapine and efavirenz.
Smith MB, Rader LH, Franklin AM, Taylor EV, Smith KD, Smith RH Jr, Tirado-Rives J, Jorgensen WL. Smith MB, et al. Among authors: smith rh jr. Bioorg Med Chem Lett. 2008 Feb 1;18(3):969-72. doi: 10.1016/j.bmcl.2007.12.033. Epub 2007 Dec 23. Bioorg Med Chem Lett. 2008. PMID: 18166457 Free PMC article.
HIV-1 reverse transcriptase variants: molecular modeling of Y181C, V106A, L100I, and K103N mutations with nonnucleoside inhibitors using Monte Carlo simulations in combination with a linear response method.
Smith MB, Ruby S, Horouzhenko S, Buckingham B, Richardson J, Puleri I, Potts E, Jorgensen WL, Arnold E, Zhang W, Hughes SH, Michejda CJ, Smith RH Jr. Smith MB, et al. Among authors: smith rh jr. Drug Des Discov. 2003;18(4):151-63. doi: 10.3109/10559610390484203. Drug Des Discov. 2003. PMID: 15553926
Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues.
Kroeger Smith MB, Hose BM, Hawkins A, Lipchock J, Farnsworth DW, Rizzo RC, Tirado-Rives J, Arnold E, Zhang W, Hughes SH, Jorgensen WL, Michejda CJ, Smith RH Jr. Kroeger Smith MB, et al. Among authors: smith rh jr. J Med Chem. 2003 May 8;46(10):1940-7. doi: 10.1021/jm020271f. J Med Chem. 2003. PMID: 12723956
Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant.
Das K, Ding J, Hsiou Y, Clark AD Jr, Moereels H, Koymans L, Andries K, Pauwels R, Janssen PA, Boyer PL, Clark P, Smith RH Jr, Kroeger Smith MB, Michejda CJ, Hughes SH, Arnold E. Das K, et al. Among authors: smith rh jr. J Mol Biol. 1996 Dec 20;264(5):1085-100. doi: 10.1006/jmbi.1996.0698. J Mol Biol. 1996. PMID: 9000632
19 results