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Journal Abstract Search

111 related items for PubMed ID: 11170624

  • 1. Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations.
    Rizzo RC, Tirado-Rives J, Jorgensen WL.
    J Med Chem; 2001 Jan 18; 44(2):145-54. PubMed ID: 11170624
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  • 2. Prediction of activity for nonnucleoside inhibitors with HIV-1 reverse transcriptase based on Monte Carlo simulations.
    Rizzo RC, Udier-Blagović M, Wang DP, Watkins EK, Kroeger Smith MB, Smith RH, Tirado-Rives J, Jorgensen WL.
    J Med Chem; 2002 Jul 04; 45(14):2970-87. PubMed ID: 12086483
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  • 3. Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method.
    Smith RH, Jorgensen WL, Tirado-Rives J, Lamb ML, Janssen PA, Michejda CJ, Kroeger Smith MB.
    J Med Chem; 1998 Dec 17; 41(26):5272-86. PubMed ID: 9857095
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  • 5. Docking-MM-GB/SA and ADME screening of HIV-1 NNRTI inhibitor: nevirapine and its analogues.
    Sengupta D, Verma D, Naik PK.
    In Silico Biol; 2008 Dec 17; 8(3-4):275-89. PubMed ID: 19032162
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  • 6. Bridge water mediates nevirapine binding to wild type and Y181C HIV-1 reverse transcriptase--evidence from molecular dynamics simulations and MM-PBSA calculations.
    Treesuwan W, Hannongbua S.
    J Mol Graph Model; 2009 Dec 17; 27(8):921-9. PubMed ID: 19414275
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  • 12. Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138.
    Ren J, Nichols CE, Stamp A, Chamberlain PP, Ferris R, Weaver KL, Short SA, Stammers DK.
    FEBS J; 2006 Aug 17; 273(16):3850-60. PubMed ID: 16911530
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  • 13. The molecular basis of resilience to the effect of the Lys103Asn mutation in non-nucleoside HIV-1 reverse transcriptase inhibitors studied by targeted molecular dynamics simulations.
    Rodríguez-Barrios F, Balzarini J, Gago F.
    J Am Chem Soc; 2005 May 25; 127(20):7570-8. PubMed ID: 15898808
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  • 14. Validation of a model for the complex of HIV-1 reverse transcriptase with nonnucleoside inhibitor TMC125.
    Udier-Blagović M, Tirado-Rives J, Jorgensen WL.
    J Am Chem Soc; 2003 May 21; 125(20):6016-7. PubMed ID: 12785806
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  • 15. 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.
    Drug Des Discov; 2003 May 21; 18(4):151-63. PubMed ID: 15553926
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  • 16. Estimation of binding affinities for selective thrombin inhibitors via Monte Carlo simulations.
    Pierce AC, Jorgensen WL.
    J Med Chem; 2001 Mar 29; 44(7):1043-50. PubMed ID: 11297451
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  • 17. Quantum computational analysis for drug resistance of HIV-1 reverse transcriptase to nevirapine through point mutations.
    He X, Mei Y, Xiang Y, Zhang DW, Zhang JZ.
    Proteins; 2005 Nov 01; 61(2):423-32. PubMed ID: 16114038
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