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Journal Abstract Search

294 related items for PubMed ID: 30051758

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  • 23. HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs.
    Perryman AL, Lin JH, McCammon JA.
    Protein Sci; 2004 Apr; 13(4):1108-23. PubMed ID: 15044738
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  • 24. Molecular dynamics and free energy studies on the wild-type and double mutant HIV-1 protease complexed with amprenavir and two amprenavir-related inhibitors: mechanism for binding and drug resistance.
    Hou T, Yu R.
    J Med Chem; 2007 Mar 22; 50(6):1177-88. PubMed ID: 17300185
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  • 25. Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV-1 protease by enhanced conformational sampling.
    Chen J, Peng C, Wang J, Zhu W.
    Proteins; 2018 Dec 22; 86(12):1294-1305. PubMed ID: 30260044
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  • 27. A major role for a set of non-active site mutations in the development of HIV-1 protease drug resistance.
    Muzammil S, Ross P, Freire E.
    Biochemistry; 2003 Jan 28; 42(3):631-8. PubMed ID: 12534275
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  • 29. Characterizing early drug resistance-related events using geometric ensembles from HIV protease dynamics.
    Sheik Amamuddy O, Bishop NT, Tastan Bishop Ö.
    Sci Rep; 2018 Dec 18; 8(1):17938. PubMed ID: 30560871
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  • 31. Insights into effect of the Asp25/Asp25' protonation states on binding of inhibitors Amprenavir and MKP97 to HIV-1 protease using molecular dynamics simulations and MM-GBSA calculations.
    Yu YX, Wang W, Sun HB, Zhang LL, Wu SL, Liu WT.
    SAR QSAR Environ Res; 2021 Aug 18; 32(8):615-641. PubMed ID: 34157882
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  • 34. 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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  • 38. Unraveling HIV protease flaps dynamics by Constant pH Molecular Dynamics simulations.
    Soares RO, Torres PHM, da Silva ML, Pascutti PG.
    J Struct Biol; 2016 Aug 16; 195(2):216-226. PubMed ID: 27291071
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  • 40. 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 16; 25(3):324-32. PubMed ID: 16504560
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