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Journal Abstract Search

218 related items for PubMed ID: 17447753

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  • 3. 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; 48(9):1909-19. PubMed ID: 18710212
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  • 4. Improved structure-activity relationship analysis of HIV-1 protease inhibitors using interaction kinetic data.
    Shuman CF, Vrang L, Danielson UH.
    J Med Chem; 2004 Nov 18; 47(24):5953-61. PubMed ID: 15537350
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  • 9. Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case.
    Meagher KL, Carlson HA.
    J Am Chem Soc; 2004 Oct 20; 126(41):13276-81. PubMed ID: 15479081
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  • 10. Optimization and computational evaluation of a series of potential active site inhibitors of the V82F/I84V drug-resistant mutant of HIV-1 protease: an application of the relaxed complex method of structure-based drug design.
    Perryman AL, Lin JH, Andrew McCammon J.
    Chem Biol Drug Des; 2006 May 20; 67(5):336-45. PubMed ID: 16784458
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  • 15. 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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  • 16. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY, Zou X.
    Proteins; 2007 Feb 01; 66(2):399-421. PubMed ID: 17096427
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  • 17. Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants.
    Kozísek M, Bray J, Rezácová P, Sasková K, Brynda J, Pokorná J, Mammano F, Rulísek L, Konvalinka J.
    J Mol Biol; 2007 Dec 07; 374(4):1005-16. PubMed ID: 17977555
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  • 19. HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site.
    Skalova T, Dohnalek J, Duskova J, Petrokova H, Hradílek M, Soucek M, Konvalinka J, Hasek J.
    J Med Chem; 2006 Sep 21; 49(19):5777-84. PubMed ID: 16970402
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