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Journal Abstract Search

155 related items for PubMed ID: 9857095

  • 1.
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  • 2. Computational study of the interaction between TIBO inhibitors and Y181 (C181), K101, and Y188 amino acids.
    Freitas RF, Galembeck SE.
    J Phys Chem B; 2006 Oct 26; 110(42):21287-98. PubMed ID: 17048958
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  • 4. Prediction of the binding free energies of new TIBO-like HIV-1 reverse transcriptase inhibitors using a combination of PROFEC, PB/SA, CMC/MD, and free energy calculations.
    Eriksson MA, Pitera J, Kollman PA.
    J Med Chem; 1999 Mar 11; 42(5):868-81. PubMed ID: 10072684
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  • 6. Analyses of activity for factor Xa inhibitors based on Monte Carlo simulations.
    Ostrovsky D, Udier-Blagović M, Jorgensen WL.
    J Med Chem; 2003 Dec 18; 46(26):5691-9. PubMed ID: 14667222
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  • 7. Docking of non-nucleoside inhibitors: neotripterifordin and its derivatives to HIV-1 reverse transcriptase.
    Zhou Z, Madrid M, Madura JD.
    Proteins; 2002 Dec 01; 49(4):529-42. PubMed ID: 12402361
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  • 9. CoMFA 3D-QSAR analysis of HIV-1 RT nonnucleoside inhibitors, TIBO derivatives based on docking conformation and alignment.
    Zhou Z, Madura JD.
    J Chem Inf Comput Sci; 2004 Dec 01; 44(6):2167-78. PubMed ID: 15554687
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  • 10. Monte Carlo calculations on HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor 8-Cl TIBO: contribution of the L100I and Y181C variants to protein stability and biological activity.
    Smith MB, Lamb ML, Tirado-Rives J, Jorgensen WL, Michejda CJ, Ruby SK, Smith RH.
    Protein Eng; 2000 Jun 01; 13(6):413-21. PubMed ID: 10877852
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  • 12. 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 Jun 01; 27(8):921-9. PubMed ID: 19414275
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  • 13. Understanding the basis of resistance in the irksome Lys103Asn HIV-1 reverse transcriptase mutant through targeted molecular dynamics simulations.
    Rodríguez-Barrios F, Gago F.
    J Am Chem Soc; 2004 Dec 01; 126(47):15386-7. PubMed ID: 15563158
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  • 14. Effect of a bound non-nucleoside RT inhibitor on the dynamics of wild-type and mutant HIV-1 reverse transcriptase.
    Zhou Z, Madrid M, Evanseck JD, Madura JD.
    J Am Chem Soc; 2005 Dec 14; 127(49):17253-60. PubMed ID: 16332074
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  • 16. A group center overlap based approach for "3D QSAR" studies on TIBO derivatives.
    Sapre NS, Gupta S, Pancholi N, Sapre N.
    J Comput Chem; 2009 Apr 30; 30(6):922-33. PubMed ID: 18785154
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  • 17. Predicting binding modes from free energy calculations.
    Nervall M, Hanspers P, Carlsson J, Boukharta L, Aqvist J.
    J Med Chem; 2008 May 08; 51(9):2657-67. PubMed ID: 18410080
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  • 18. Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase.
    Carlsson J, Boukharta L, Aqvist J.
    J Med Chem; 2008 May 08; 51(9):2648-56. PubMed ID: 18410085
    [Abstract] [Full Text] [Related]

  • 19. 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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  • 20. Revealing interaction mode between HIV-1 reverse transcriptase and diaryltriazine analog inhibitor.
    Li Z, Han J, Chen HF.
    Chem Biol Drug Des; 2008 Nov 18; 72(5):350-9. PubMed ID: 19012571
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