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252 related items for PubMed ID: 16504560

  • 21. Molecular dynamics simulations applied to the study of subtypes of HIV-1 protease common to Brazil, Africa, and Asia.
    Batista PR, Wilter A, Durham EH, Pascutti PG.
    Cell Biochem Biophys; 2006; 44(3):395-404. PubMed ID: 16679526
    [Abstract] [Full Text] [Related]

  • 22. Crystal structure of an in vivo HIV-1 protease mutant in complex with saquinavir: insights into the mechanisms of drug resistance.
    Hong L, Zhang XC, Hartsuck JA, Tang J.
    Protein Sci; 2000 Oct; 9(10):1898-904. PubMed ID: 11106162
    [Abstract] [Full Text] [Related]

  • 23. 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
    [Abstract] [Full Text] [Related]

  • 24. Solution NMR evidence that the HIV-1 protease catalytic aspartyl groups have different ionization states in the complex formed with the asymmetric drug KNI-272.
    Wang YX, Freedberg DI, Yamazaki T, Wingfield PT, Stahl SJ, Kaufman JD, Kiso Y, Torchia DA.
    Biochemistry; 1996 Aug 06; 35(31):9945-50. PubMed ID: 8756455
    [Abstract] [Full Text] [Related]

  • 25. Insights into saquinavir resistance in the G48V HIV-1 protease: quantum calculations and molecular dynamic simulations.
    Wittayanarakul K, Aruksakunwong O, Saen-oon S, Chantratita W, Parasuk V, Sompornpisut P, Hannongbua S.
    Biophys J; 2005 Feb 06; 88(2):867-79. PubMed ID: 15542562
    [Abstract] [Full Text] [Related]

  • 26. 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
    [Abstract] [Full Text] [Related]

  • 27. Multidrug resistance to HIV-1 protease inhibition requires cooperative coupling between distal mutations.
    Ohtaka H, Schön A, Freire E.
    Biochemistry; 2003 Nov 25; 42(46):13659-66. PubMed ID: 14622012
    [Abstract] [Full Text] [Related]

  • 28. Inhibition and catalytic mechanism of HIV-1 aspartic protease.
    Silva AM, Cachau RE, Sham HL, Erickson JW.
    J Mol Biol; 1996 Jan 19; 255(2):321-46. PubMed ID: 8551523
    [Abstract] [Full Text] [Related]

  • 29. Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
    Liu F, Kovalevsky AY, Tie Y, Ghosh AK, Harrison RW, Weber IT.
    J Mol Biol; 2008 Aug 01; 381(1):102-15. PubMed ID: 18597780
    [Abstract] [Full Text] [Related]

  • 30. 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
    [Abstract] [Full Text] [Related]

  • 31. Molecular dynamics and free energy studies on the wild-type and mutated HIV-1 protease complexed with four approved drugs: mechanism of binding and drug resistance.
    Alcaro S, Artese A, Ceccherini-Silberstein F, Ortuso F, Perno CF, Sing T, Svicher V.
    J Chem Inf Model; 2009 Jul 24; 49(7):1751-61. PubMed ID: 19537723
    [Abstract] [Full Text] [Related]

  • 32. A phenylnorstatine inhibitor binding to HIV-1 protease: geometry, protonation, and subsite-pocket interactions analyzed at atomic resolution.
    Brynda J, Rezacova P, Fabry M, Horejsi M, Stouracova R, Sedlacek J, Soucek M, Hradilek M, Lepsik M, Konvalinka J.
    J Med Chem; 2004 Apr 08; 47(8):2030-6. PubMed ID: 15056001
    [Abstract] [Full Text] [Related]

  • 33. Interactions of the dimeric triad of HIV-1 aspartyl protease with inhibitors.
    Mager PP, De Clercq E, Froeyen M, Reinhardt R.
    Drug Des Discov; 2003 Apr 08; 18(2-3):53-64. PubMed ID: 14675943
    [Abstract] [Full Text] [Related]

  • 34. 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
    [Abstract] [Full Text] [Related]

  • 35. Mapping hydration water molecules in the HIV-1 protease/DMP323 complex in solution by NMR spectroscopy.
    Wang YX, Freedberg DI, Grzesiek S, Torchia DA, Wingfield PT, Kaufman JD, Stahl SJ, Chang CH, Hodge CN.
    Biochemistry; 1996 Oct 01; 35(39):12694-704. PubMed ID: 8841113
    [Abstract] [Full Text] [Related]

  • 36. Comparative studies on inhibitors of HIV protease: a target for drug design.
    Jayaraman S, Shah K.
    In Silico Biol; 2008 Oct 01; 8(5-6):427-47. PubMed ID: 19374129
    [Abstract] [Full Text] [Related]

  • 37. 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
    [Abstract] [Full Text] [Related]

  • 38. 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
    [Abstract] [Full Text] [Related]

  • 39. Kinetic properties of saquinavir-resistant mutants of human immunodeficiency virus type 1 protease and their implications in drug resistance in vivo.
    Ermolieff J, Lin X, Tang J.
    Biochemistry; 1997 Oct 07; 36(40):12364-70. PubMed ID: 9315877
    [Abstract] [Full Text] [Related]

  • 40. Interactions of different inhibitors with active-site aspartyl residues of HIV-1 protease and possible relevance to pepsin.
    Sayer JM, Louis JM.
    Proteins; 2009 May 15; 75(3):556-68. PubMed ID: 18951411
    [Abstract] [Full Text] [Related]

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