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Journal Abstract Search

325 related items for PubMed ID: 15479081

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. Refining the multiple protein structure pharmacophore method: consistency across three independent HIV-1 protease models.
    Meagher KL, Lerner MG, Carlson HA.
    J Med Chem; 2006 Jun 15; 49(12):3478-84. PubMed ID: 16759090
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  • 3. Exploring experimental sources of multiple protein conformations in structure-based drug design.
    Damm KL, Carlson HA.
    J Am Chem Soc; 2007 Jul 04; 129(26):8225-35. PubMed ID: 17555316
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  • 4. Relation between sequence and structure of HIV-1 protease inhibitor complexes: a model system for the analysis of protein flexibility.
    Zoete V, Michielin O, Karplus M.
    J Mol Biol; 2002 Jan 04; 315(1):21-52. PubMed ID: 11771964
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  • 5. 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
    [Abstract] [Full Text] [Related]

  • 6. Structure-based ligand design by dynamically assembling molecular building blocks at binding site.
    Liu H, Duan Z, Luo Q, Shi Y.
    Proteins; 1999 Sep 01; 36(4):462-70. PubMed ID: 10450088
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  • 7. 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 01; 67(5):336-45. PubMed ID: 16784458
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  • 8. A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
    Perola E, Walters WP, Charifson PS.
    Proteins; 2004 Aug 01; 56(2):235-49. PubMed ID: 15211508
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  • 10. Cyclopropane-derived peptidomimetics. Design, synthesis, evaluation, and structure of novel HIV-1 protease inhibitors.
    Martin SF, Dorsey GO, Gane T, Hillier MC, Kessler H, Baur M, Mathä B, Erickson JW, Bhat TN, Munshi S, Gulnik SV, Topol IA.
    J Med Chem; 1998 May 07; 41(10):1581-97. PubMed ID: 9572884
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  • 13. 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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  • 14. 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 01; 48(9):1909-19. PubMed ID: 18710212
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  • 15. Cooperative fluctuations of unliganded and substrate-bound HIV-1 protease: a structure-based analysis on a variety of conformations from crystallography and molecular dynamics simulations.
    Kurt N, Scott WR, Schiffer CA, Haliloglu T.
    Proteins; 2003 May 15; 51(3):409-22. PubMed ID: 12696052
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  • 16. Nonpeptidal P2 ligands for HIV protease inhibitors: structure-based design, synthesis, and biological evaluation.
    Ghosh AK, Kincaid JF, Walters DE, Chen Y, Chaudhuri NC, Thompson WJ, Culberson C, Fitzgerald PM, Lee HY, McKee SP, Munson PM, Duong TT, Darke PL, Zugay JA, Schleif WA, Axel MG, Lin J, Huff JR.
    J Med Chem; 1996 Aug 16; 39(17):3278-90. PubMed ID: 8765511
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  • 17. Comparative studies on inhibitors of HIV protease: a target for drug design.
    Jayaraman S, Shah K.
    In Silico Biol; 2008 Aug 16; 8(5-6):427-47. PubMed ID: 19374129
    [Abstract] [Full Text] [Related]

  • 18. Solvation influences flap collapse in HIV-1 protease.
    Meagher KL, Carlson HA.
    Proteins; 2005 Jan 01; 58(1):119-25. PubMed ID: 15521062
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