These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

155 related items for PubMed ID: 9857095

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 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
    [Abstract] [Full Text] [Related]

  • 3. 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.
    J Med Chem; 2003 May 08; 46(10):1940-7. PubMed ID: 12723956
    [Abstract] [Full Text] [Related]

  • 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
    [Abstract] [Full Text] [Related]

  • 5. Relative free energy of binding and binding mode calculations of HIV-1 RT inhibitors based on dock-MM-PB/GS.
    Zhou Z, Madura JD.
    Proteins; 2004 Nov 15; 57(3):493-503. PubMed ID: 15382241
    [Abstract] [Full Text] [Related]

  • 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
    [Abstract] [Full Text] [Related]

  • 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
    [Abstract] [Full Text] [Related]

  • 8. Molecular modeling studies of HIV-1 reverse transcriptase nonnucleoside inhibitors: total energy of complexation as a predictor of drug placement and activity.
    Kroeger Smith MB, Rouzer CA, Taneyhill LA, Smith NA, Hughes SH, Boyer PL, Janssen PA, Moereels H, Koymans L, Arnold E.
    Protein Sci; 1995 Oct 01; 4(10):2203-22. PubMed ID: 8535257
    [Abstract] [Full Text] [Related]

  • 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 Oct 01; 44(6):2167-78. PubMed ID: 15554687
    [Abstract] [Full Text] [Related]

  • 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
    [Abstract] [Full Text] [Related]

  • 11. Predictive QSAR modeling of HIV reverse transcriptase inhibitor TIBO derivatives.
    Mandal AS, Roy K.
    Eur J Med Chem; 2009 Apr 01; 44(4):1509-24. PubMed ID: 18760864
    [Abstract] [Full Text] [Related]

  • 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 Apr 01; 27(8):921-9. PubMed ID: 19414275
    [Abstract] [Full Text] [Related]

  • 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
    [Abstract] [Full Text] [Related]

  • 14.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 15. Structure based activity prediction of HIV-1 reverse transcriptase inhibitors.
    de Jonge MR, Koymans LM, Vinkers HM, Daeyaert FF, Heeres J, Lewi PJ, Janssen PA.
    J Med Chem; 2005 Mar 24; 48(6):2176-83. PubMed ID: 15771460
    [Abstract] [Full Text] [Related]

  • 16.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 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
    [Abstract] [Full Text] [Related]

  • 18.
    ; . PubMed ID:
    [No 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
    [Abstract] [Full Text] [Related]

  • 20.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 8.