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PUBMED FOR HANDHELDS

Journal Abstract Search


323 related items for PubMed ID: 20384328

  • 1. Accurate ensemble molecular dynamics binding free energy ranking of multidrug-resistant HIV-1 proteases.
    Sadiq SK, Wright DW, Kenway OA, Coveney PV.
    J Chem Inf Model; 2010 May 24; 50(5):890-905. PubMed ID: 20384328
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  • 2. 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 24; 45(1):227-35. PubMed ID: 19910081
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  • 3. 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
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  • 4. Structural analysis of an HIV-1 protease I47A mutant resistant to the protease inhibitor lopinavir.
    Kagan RM, Shenderovich MD, Heseltine PN, Ramnarayan K.
    Protein Sci; 2005 Jul 26; 14(7):1870-8. PubMed ID: 15937277
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  • 5. Automated molecular simulation based binding affinity calculator for ligand-bound HIV-1 proteases.
    Sadiq SK, Wright D, Watson SJ, Zasada SJ, Stoica I, Coveney PV.
    J Chem Inf Model; 2008 Sep 26; 48(9):1909-19. PubMed ID: 18710212
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  • 11. Prediction of HIV-1 protease inhibitor resistance using a protein-inhibitor flexible docking approach.
    Jenwitheesuk E, Samudrala R.
    Antivir Ther; 2005 Sep 26; 10(1):157-66. PubMed ID: 15751773
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  • 13. 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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  • 15. 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 Mar 22; 45(2):300-8. PubMed ID: 15807491
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  • 16. Protein promiscuity: drug resistance and native functions--HIV-1 case.
    Fernández A, Tawfik DS, Berkhout B, Sanders R, Kloczkowski A, Sen T, Jernigan B.
    J Biomol Struct Dyn; 2005 Jun 22; 22(6):615-24. PubMed ID: 15842167
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  • 17. 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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  • 18. 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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