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Journal Abstract Search

416 related items for PubMed ID: 17849388

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  • 4. Binding free energy contributions of interfacial waters in HIV-1 protease/inhibitor complexes.
    Lu Y, Yang CY, Wang S.
    J Am Chem Soc; 2006 Sep 13; 128(36):11830-9. PubMed ID: 16953623
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  • 5. 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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  • 7. 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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  • 9. 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 22; 48(9):1909-19. PubMed ID: 18710212
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  • 10. Molecular dynamics study of the connection between flap closing and binding of fullerene-based inhibitors of the HIV-1 protease.
    Zhu Z, Schuster DI, Tuckerman ME.
    Biochemistry; 2003 Feb 11; 42(5):1326-33. PubMed ID: 12564936
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  • 12. How inaccuracies in protein structure models affect estimates of protein-ligand interactions: computational analysis of HIV-I protease inhibitor binding.
    Thorsteinsdottir HB, Schwede T, Zoete V, Meuwly M.
    Proteins; 2006 Nov 01; 65(2):407-23. PubMed ID: 16941468
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  • 13. Structural parameterization of the binding enthalpy of small ligands.
    Luque I, Freire E.
    Proteins; 2002 Nov 01; 49(2):181-90. PubMed ID: 12210999
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  • 19. 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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