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Journal Abstract Search

225 related items for PubMed ID: 10047488

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  • 7. 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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  • 8. Efficiency of a second-generation HIV-1 protease inhibitor studied by molecular dynamics and absolute binding free energy calculations.
    Lepsík M, Kríz Z, Havlas Z.
    Proteins; 2004 Nov 01; 57(2):279-93. PubMed ID: 15340915
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  • 9. Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations.
    Lee VS, Nimmanpipug P, Aruksakunwong O, Promsri S, Sompornpisut P, Hannongbua S.
    J Mol Graph Model; 2007 Sep 01; 26(2):558-70. PubMed ID: 17468026
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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. Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex.
    Brynda J, Rezácová P, Fábry M, Horejsí M, Stouracová R, Soucek M, Hradílek M, Konvalinka J, Sedlácek J.
    Acta Crystallogr D Biol Crystallogr; 2004 Nov 01; 60(Pt 11):1943-8. PubMed ID: 15502300
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  • 14. 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 Nov 01; 45(2):300-8. PubMed ID: 15807491
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  • 15. Molecular dynamics simulations of ligand-induced flap closing in HIV-1 protease approach X-ray resolution: establishing the role of bound water in the flap closing mechanism.
    Singh G, Senapati S.
    Biochemistry; 2008 Oct 07; 47(40):10657-64. PubMed ID: 18785756
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  • 16. An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study.
    Skálová T, Hasek J, Dohnálek J, Petroková H, Buchtelová E, Dusková J, Soucek M, Majer P, Uhlíková T, Konvalinka J.
    J Med Chem; 2003 Apr 24; 46(9):1636-44. PubMed ID: 12699382
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  • 17. Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor.
    Bäckbro K, Löwgren S, Osterlund K, Atepo J, Unge T, Hultén J, Bonham NM, Schaal W, Karlén A, Hallberg A.
    J Med Chem; 1997 Mar 14; 40(6):898-902. PubMed ID: 9083478
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  • 20. 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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