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136 related items for PubMed ID: 34030114

  • 1. Cantilever-centric mechanism of cooperative non-active site mutations in HIV protease: Implications for flap dynamics.
    Sherry D, Worth R, Ismail ZS, Sayed Y.
    J Mol Graph Model; 2021 Jul; 106():107931. PubMed ID: 34030114
    [Abstract] [Full Text] [Related]

  • 2. Molecular dynamics and ligand docking of a hinge region variant of South African HIV-1 subtype C protease.
    Zondagh J, Balakrishnan V, Achilonu I, Dirr HW, Sayed Y.
    J Mol Graph Model; 2018 Jun; 82():1-11. PubMed ID: 29625416
    [Abstract] [Full Text] [Related]

  • 3. Contrasting the effect of hinge region insertions and non-active site mutations on HIV protease-inhibitor interactions: Insights from altered flap dynamics.
    Mokhantso T, Sherry D, Worth R, Pandian R, Achilonu I, Sayed Y.
    J Mol Graph Model; 2024 Dec; 133():108850. PubMed ID: 39226791
    [Abstract] [Full Text] [Related]

  • 4. Structural studies on molecular mechanisms of Nelfinavir resistance caused by non-active site mutation V77I in HIV-1 protease.
    Gupta A, Jamal S, Goyal S, Jain R, Wahi D, Grover A.
    BMC Bioinformatics; 2015 Dec; 16 Suppl 19(Suppl 19):S10. PubMed ID: 26695135
    [Abstract] [Full Text] [Related]

  • 5. Exploring the drug resistance mechanism of active site, non-active site mutations and their cooperative effects in CRF01_AE HIV-1 protease: molecular dynamics simulations and free energy calculations.
    C S V, Tamizhselvi R, Munusami P.
    J Biomol Struct Dyn; 2019 Jul; 37(10):2608-2626. PubMed ID: 30051758
    [Abstract] [Full Text] [Related]

  • 6. Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics.
    Agniswamy J, Louis JM, Roche J, Harrison RW, Weber IT.
    PLoS One; 2016 Jul; 11(12):e0168616. PubMed ID: 27992544
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  • 10. A molecular dynamics study comparing a wild-type with a multiple drug resistant HIV protease: differences in flap and aspartate 25 cavity dimensions.
    Seibold SA, Cukier RI.
    Proteins; 2007 Nov 15; 69(3):551-65. PubMed ID: 17623840
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  • 11. The impact of active site mutations of South African HIV PR on drug resistance: Insight from molecular dynamics simulations, binding free energy and per-residue footprints.
    Ahmed SM, Maguire GE, Kruger HG, Govender T.
    Chem Biol Drug Des; 2014 Apr 15; 83(4):472-81. PubMed ID: 24267738
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  • 12. Multiple Molecular Dynamics Simulations and Free-Energy Predictions Uncover the Susceptibility of Variants of HIV-1 Protease against Inhibitors Darunavir and KNI-1657.
    Wang R, Zheng Q.
    Langmuir; 2021 Dec 14; 37(49):14407-14418. PubMed ID: 34851643
    [Abstract] [Full Text] [Related]

  • 13. 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
    [Abstract] [Full Text] [Related]

  • 14. 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 28; 92():112-122. PubMed ID: 31351319
    [Abstract] [Full Text] [Related]

  • 15. Natural Polymorphisms D60E and I62V Stabilize a Closed Conformation in HIV-1 Protease in the Absence of an Inhibitor or Substrate.
    Tran TT, Fanucci GE.
    Viruses; 2024 Feb 02; 16(2):. PubMed ID: 38400012
    [Abstract] [Full Text] [Related]

  • 16. Exploring the flap dynamics of the South African HIV subtype C protease in presence of FDA-approved inhibitors: MD study.
    Maphumulo SI, Halder AK, Govender T, Maseko S, Maguire GEM, Honarparvar B, Kruger HG.
    Chem Biol Drug Des; 2018 Nov 02; 92(5):1899-1913. PubMed ID: 30003668
    [Abstract] [Full Text] [Related]

  • 17. HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
    Agniswamy J, Shen CH, Aniana A, Sayer JM, Louis JM, Weber IT.
    Biochemistry; 2012 Apr 03; 51(13):2819-28. PubMed ID: 22404139
    [Abstract] [Full Text] [Related]

  • 18. Structural insights into the South African HIV-1 subtype C protease: impact of hinge region dynamics and flap flexibility in drug resistance.
    Naicker P, Achilonu I, Fanucchi S, Fernandes M, Ibrahim MA, Dirr HW, Soliman ME, Sayed Y.
    J Biomol Struct Dyn; 2013 Dec 03; 31(12):1370-80. PubMed ID: 23140382
    [Abstract] [Full Text] [Related]

  • 19. 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]

  • 20. Binding of single walled carbon nanotube to WT and mutant HIV-1 proteases: analysis of flap dynamics and binding mechanism.
    Meher BR, Wang Y.
    J Mol Graph Model; 2012 Sep 14; 38():430-45. PubMed ID: 23142620
    [Abstract] [Full Text] [Related]

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