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294 related items for PubMed ID: 30051758

  • 1. 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]

  • 2. Drug Resistance Mechanism of L10F, L10F/N88S and L90M mutations in CRF01_AE HIV-1 protease: Molecular dynamics simulations and binding free energy calculations.
    Vasavi CS, Tamizhselvi R, Munusami P.
    J Mol Graph Model; 2017 Aug; 75():390-402. PubMed ID: 28645089
    [Abstract] [Full Text] [Related]

  • 3. 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; 41(3):1000-1017. PubMed ID: 34919029
    [Abstract] [Full Text] [Related]

  • 4. 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; 83(4):472-81. PubMed ID: 24267738
    [Abstract] [Full Text] [Related]

  • 5. 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 Apr; 16 Suppl 19(Suppl 19):S10. PubMed ID: 26695135
    [Abstract] [Full Text] [Related]

  • 6. Drug-resistant molecular mechanism of CRF01_AE HIV-1 protease due to V82F mutation.
    Liu X, Xiu Z, Hao C.
    J Comput Aided Mol Des; 2009 May; 23(5):261-72. PubMed ID: 19219633
    [Abstract] [Full Text] [Related]

  • 7. 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]

  • 8. A contribution to the drug resistance mechanism of darunavir, amprenavir, indinavir, and saquinavir complexes with HIV-1 protease due to flap mutation I50V: a systematic MM-PBSA and thermodynamic integration study.
    Leonis G, Steinbrecher T, Papadopoulos MG.
    J Chem Inf Model; 2013 Aug 26; 53(8):2141-53. PubMed ID: 23834142
    [Abstract] [Full Text] [Related]

  • 9. 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
    [Abstract] [Full Text] [Related]

  • 10. 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
    [Abstract] [Full Text] [Related]

  • 11. Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations.
    Lee VS, Nimmanpipug P, Aruksakunwong O, Promsri S, Sompornpisut P, Hannongbua S.
    J Mol Graph Model; 2007 Sep 26; 26(2):558-70. PubMed ID: 17468026
    [Abstract] [Full Text] [Related]

  • 12. Mechanism of drug resistance due to N88S in CRF01_AE HIV-1 protease, analyzed by molecular dynamics simulations.
    Ode H, Matsuyama S, Hata M, Hoshino T, Kakizawa J, Sugiura W.
    J Med Chem; 2007 Apr 19; 50(8):1768-77. PubMed ID: 17367119
    [Abstract] [Full Text] [Related]

  • 13. 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 19; 106():107931. PubMed ID: 34030114
    [Abstract] [Full Text] [Related]

  • 14. 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 19; 56():60-73. PubMed ID: 25562662
    [Abstract] [Full Text] [Related]

  • 15. Studies on adaptability of binding residues and flap region of TMC-114 resistance HIV-1 protease mutants.
    Purohit R, Rajendran V, Sethumadhavan R.
    J Biomol Struct Dyn; 2011 Aug 19; 29(1):137-52. PubMed ID: 21696230
    [Abstract] [Full Text] [Related]

  • 16. 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
    [Abstract] [Full Text] [Related]

  • 17. Thermodynamic basis of resistance to HIV-1 protease inhibition: calorimetric analysis of the V82F/I84V active site resistant mutant.
    Todd MJ, Luque I, Velázquez-Campoy A, Freire E.
    Biochemistry; 2000 Oct 03; 39(39):11876-83. PubMed ID: 11009599
    [Abstract] [Full Text] [Related]

  • 18. Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
    Muzammil S, Armstrong AA, Kang LW, Jakalian A, Bonneau PR, Schmelmer V, Amzel LM, Freire E.
    J Virol; 2007 May 03; 81(10):5144-54. PubMed ID: 17360759
    [Abstract] [Full Text] [Related]

  • 19. 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 May 03; 45(2):300-8. PubMed ID: 15807491
    [Abstract] [Full Text] [Related]

  • 20. 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 03; 133():108850. PubMed ID: 39226791
    [Abstract] [Full Text] [Related]

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