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Journal Abstract Search

178 related items for PubMed ID: 15542562

  • 1. Insights into saquinavir resistance in the G48V HIV-1 protease: quantum calculations and molecular dynamic simulations.
    Wittayanarakul K, Aruksakunwong O, Saen-oon S, Chantratita W, Parasuk V, Sompornpisut P, Hannongbua S.
    Biophys J; 2005 Feb; 88(2):867-79. PubMed ID: 15542562
    [Abstract] [Full Text] [Related]

  • 2. Structural and dynamical properties of different protonated states of mutant HIV-1 protease complexed with the saquinavir inhibitor studied by molecular dynamics simulations.
    Aruksakunwong O, Wittayanarakul K, Sompornpisut P, Sanghiran V, Parasuk V, Hannongbua S.
    J Mol Graph Model; 2006 Nov; 25(3):324-32. PubMed ID: 16504560
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  • 3. Insight into analysis of interactions of saquinavir with HIV-1 protease in comparison between the wild-type and G48V and G48V/L90M mutants based on QM and QM/MM calculations.
    Saen-oon S, Aruksakunwong O, Wittayanarakul K, Sompornpisut P, Hannongbua S.
    J Mol Graph Model; 2007 Nov; 26(4):720-7. PubMed ID: 17543558
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  • 4. Crystal structure of an in vivo HIV-1 protease mutant in complex with saquinavir: insights into the mechanisms of drug resistance.
    Hong L, Zhang XC, Hartsuck JA, Tang J.
    Protein Sci; 2000 Oct; 9(10):1898-904. PubMed ID: 11106162
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  • 5. Structure, dynamics and solvation of HIV-1 protease/saquinavir complex in aqueous solution and their contributions to drug resistance: molecular dynamic simulations.
    Wittayanarakul K, Aruksakunwong O, Sompornpisut P, Sanghiran-Lee V, Parasuk V, Pinitglang S, Hannongbua S.
    J Chem Inf Model; 2005 Oct; 45(2):300-8. PubMed ID: 15807491
    [Abstract] [Full Text] [Related]

  • 6. Insights into the mechanism of drug resistance: X-ray structure analysis of G48V/C95F tethered HIV-1 protease dimer/saquinavir complex.
    Prashar V, Bihani SC, Das A, Rao DR, Hosur MV.
    Biochem Biophys Res Commun; 2010 Jun 11; 396(4):1018-23. PubMed ID: 20471372
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  • 7. Rapid and accurate prediction of binding free energies for saquinavir-bound HIV-1 proteases.
    Stoica I, Sadiq SK, Coveney PV.
    J Am Chem Soc; 2008 Feb 27; 130(8):2639-48. PubMed ID: 18225901
    [Abstract] [Full Text] [Related]

  • 8. Revealing the drug resistance mechanism of saquinavir due to G48V and V82F mutations in subtype CRF01_AE HIV-1 protease: molecular dynamics simulation and binding free energy calculations.
    C S V, Munusami P.
    J Biomol Struct Dyn; 2023 Feb 27; 41(3):1000-1017. PubMed ID: 34919029
    [Abstract] [Full Text] [Related]

  • 9. Molecular mechanisms of resistance: free energy calculations of mutation effects on inhibitor binding to HIV-1 protease.
    Rick SW, Topol IA, Erickson JW, Burt SK.
    Protein Sci; 1998 Aug 27; 7(8):1750-6. PubMed ID: 10082371
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  • 10. Systematic molecular dynamics, MM-PBSA, and ab initio approaches to the saquinavir resistance mechanism in HIV-1 PR due to 11 double and multiple mutations.
    Tzoupis H, Leonis G, Avramopoulos A, Mavromoustakos T, Papadopoulos MG.
    J Phys Chem B; 2014 Aug 14; 118(32):9538-52. PubMed ID: 25036111
    [Abstract] [Full Text] [Related]

  • 11. Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
    Liu F, Kovalevsky AY, Tie Y, Ghosh AK, Harrison RW, Weber IT.
    J Mol Biol; 2008 Aug 01; 381(1):102-15. PubMed ID: 18597780
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  • 14. Insights into a mutation-assisted lateral drug escape mechanism from the HIV-1 protease active site.
    Sadiq SK, Wan S, Coveney PV.
    Biochemistry; 2007 Dec 25; 46(51):14865-77. PubMed ID: 18052195
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  • 19. Drug Resistance Mechanism of M46I-Mutation-Induced Saquinavir Resistance in HIV-1 Protease Using Molecular Dynamics Simulation and Binding Energy Calculation.
    Rana N, Singh AK, Shuaib M, Gupta S, Habiballah MM, Alkhanani MF, Haque S, Reshi MS, Kumar S.
    Viruses; 2022 Mar 28; 14(4):. PubMed ID: 35458427
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