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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: michejda cj. J Med Chem. 2003 May 8;46(10):1940-7. doi: 10.1021/jm020271f. J Med Chem. 2003. PMID: 12723956
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: michejda cj. Drug Des Discov. 2003;18(4):151-63. doi: 10.3109/10559610390484203. Drug Des Discov. 2003. PMID: 15553926
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: michejda cj. J Mol Biol. 1996 Dec 20;264(5):1085-100. doi: 10.1006/jmbi.1996.0698. J Mol Biol. 1996. PMID: 9000632
Synthesis, biological activity, and crystal structure of potent nonnucleoside inhibitors of HIV-1 reverse transcriptase that retain activity against mutant forms of the enzyme.
Morningstar ML, Roth T, Farnsworth DW, Smith MK, Watson K, Buckheit RW Jr, Das K, Zhang W, Arnold E, Julias JG, Hughes SH, Michejda CJ. Morningstar ML, et al. Among authors: michejda cj. J Med Chem. 2007 Aug 23;50(17):4003-15. doi: 10.1021/jm060103d. Epub 2007 Jul 31. J Med Chem. 2007. PMID: 17663538 Free PMC article.
86 results