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Journal Abstract Search

350 related items for PubMed ID: 22239286

  • 1. Interaction of I50V mutant and I50L/A71V double mutant HIV-protease with inhibitor TMC114 (darunavir): molecular dynamics simulation and binding free energy studies.
    Meher BR, Wang Y.
    J Phys Chem B; 2012 Feb 16; 116(6):1884-900. PubMed ID: 22239286
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  • 4. Exploring the drug resistance of V32I and M46L mutant HIV-1 protease to inhibitor TMC114: flap dynamics and binding mechanism.
    Meher BR, Wang Y.
    J Mol Graph Model; 2015 Mar 16; 56():60-73. PubMed ID: 25562662
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  • 6. Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease.
    Kar P, Lipowsky R, Knecht V.
    J Phys Chem B; 2013 May 16; 117(19):5793-805. PubMed ID: 23614718
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  • 7. Computational Studies of a Mechanism for Binding and Drug Resistance in the Wild Type and Four Mutations of HIV-1 Protease with a GRL-0519 Inhibitor.
    Hu G, Ma A, Dou X, Zhao L, Wang J.
    Int J Mol Sci; 2016 May 27; 17(6):. PubMed ID: 27240358
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  • 9. 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
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  • 14. Ultra-high resolution crystal structure of HIV-1 protease mutant reveals two binding sites for clinical inhibitor TMC114.
    Kovalevsky AY, Liu F, Leshchenko S, Ghosh AK, Louis JM, Harrison RW, Weber IT.
    J Mol Biol; 2006 Oct 13; 363(1):161-73. PubMed ID: 16962136
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  • 15. Effectiveness of nonpeptide clinical inhibitor TMC-114 on HIV-1 protease with highly drug resistant mutations D30N, I50V, and L90M.
    Kovalevsky AY, Tie Y, Liu F, Boross PI, Wang YF, Leshchenko S, Ghosh AK, Harrison RW, Weber IT.
    J Med Chem; 2006 Feb 23; 49(4):1379-87. PubMed ID: 16480273
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  • 16. Some insights into mechanism for binding and drug resistance of wild type and I50V V82A and I84V mutations in HIV-1 protease with GRL-98065 inhibitor from molecular dynamic simulations.
    Hu GD, Zhu T, Zhang SL, Wang D, Zhang QG.
    Eur J Med Chem; 2010 Jan 23; 45(1):227-35. PubMed ID: 19910081
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  • 17. Revealing the binding and drug resistance mechanism of amprenavir, indinavir, ritonavir, and nelfinavir complexed with HIV-1 protease due to double mutations G48T/L89M by molecular dynamics simulations and free energy analyses.
    Wang RG, Zhang HX, Zheng QC.
    Phys Chem Chem Phys; 2020 Feb 26; 22(8):4464-4480. PubMed ID: 32057044
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  • 18. Structural and binding insights into HIV-1 protease and P2-ligand interactions through molecular dynamics simulations, binding free energy and principal component analysis.
    Karnati KR, Wang Y.
    J Mol Graph Model; 2019 Nov 26; 92():112-122. PubMed ID: 31351319
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  • 19. Effects of drug-resistant mutations on the dynamic properties of HIV-1 protease and inhibition by Amprenavir and Darunavir.
    Yu Y, Wang J, Shao Q, Shi J, Zhu W.
    Sci Rep; 2015 May 27; 5():10517. PubMed ID: 26012849
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  • 20. Structural basis for the resilience of Darunavir (TMC114) resistance major flap mutations of HIV-1 protease.
    Purohit R, Sethumadhavan R.
    Interdiscip Sci; 2009 Dec 27; 1(4):320-8. PubMed ID: 20640812
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