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Journal Abstract Search

128 related items for PubMed ID: 34157882

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  • 2. Insights into the functional role of protonation states in the HIV-1 protease-BEA369 complex: molecular dynamics simulations and free energy calculations.
    Chen J, Yang M, Hu G, Shi S, Yi C, Zhang Q.
    J Mol Model; 2009 Oct; 15(10):1245-52. PubMed ID: 19294437
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  • 5. 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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  • 8. Dataset showing the impact of the protonation states on molecular dynamics of HIV protease.
    Soares RO, Torres PH, da Silva ML, Pascutti PG.
    Data Brief; 2016 Sep; 8():1144-50. PubMed ID: 27536715
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  • 10. Interactions of different inhibitors with active-site aspartyl residues of HIV-1 protease and possible relevance to pepsin.
    Sayer JM, Louis JM.
    Proteins; 2009 May 15; 75(3):556-68. PubMed ID: 18951411
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  • 12. Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
    Shen CH, Wang YF, Kovalevsky AY, Harrison RW, Weber IT.
    FEBS J; 2010 Sep 15; 277(18):3699-714. PubMed ID: 20695887
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  • 13. 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 15; 37(10):2608-2626. PubMed ID: 30051758
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  • 19. Revealing origin of decrease in potency of darunavir and amprenavir against HIV-2 relative to HIV-1 protease by molecular dynamics simulations.
    Chen J, Liang Z, Wang W, Yi C, Zhang S, Zhang Q.
    Sci Rep; 2014 Nov 03; 4():6872. PubMed ID: 25362963
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  • 20. Insight into binding mechanisms of inhibitors MKP56, MKP73, MKP86, and MKP97 to HIV-1 protease by using molecular dynamics simulation.
    Shi S, Zhang S, Zhang Q.
    J Biomol Struct Dyn; 2018 Mar 03; 36(4):981-992. PubMed ID: 28279118
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