BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

134 related articles for article (PubMed ID: 9541388)

  • 1. Solvation studies of DMP323 and A76928 bound to HIV protease: analysis of water sites using grand canonical Monte Carlo simulations.
    Marrone TJ; Resat H; Hodge CN; Chang CH; McCammon JA
    Protein Sci; 1998 Mar; 7(3):573-9. PubMed ID: 9541388
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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; 35(39):12694-704. PubMed ID: 8841113
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Comparing the conformational behavior of a series of diastereomeric cyclic urea HIV-1 inhibitors using the low mode:monte carlo conformational search method.
    Parish CA; Yarger M; Sinclair K; Dure M; Goldberg A
    J Med Chem; 2004 Sep; 47(20):4838-50. PubMed ID: 15369387
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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; 45(2):300-8. PubMed ID: 15807491
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies.
    Jadhav PK; Woerner FJ; Lam PY; Hodge CN; Eyermann CJ; Man HW; Daneker WF; Bacheler LT; Rayner MM; Meek JL; Erickson-Viitanen S; Jackson DA; Calabrese JC; Schadt M; Chang CH
    J Med Chem; 1998 Apr; 41(9):1446-55. PubMed ID: 9554878
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
    Ala PJ; Huston EE; Klabe RM; Jadhav PK; Lam PY; Chang CH
    Biochemistry; 1998 Oct; 37(43):15042-9. PubMed ID: 9790666
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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; 26(2):558-70. PubMed ID: 17468026
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Monte Carlo simulations of the solution structure of simple alcohols in water-acetonitrile mixtures.
    Nagy PI; Erhardt PW
    J Phys Chem B; 2005 Mar; 109(12):5855-72. PubMed ID: 16851638
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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; 374(4):1005-16. PubMed ID: 17977555
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Computational proteomics analysis of binding mechanisms and molecular signatures of the HIV-1 protease drugs.
    Verkhivker G
    Artif Intell Med; 2009; 45(2-3):197-206. PubMed ID: 18926674
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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; 57(2):279-93. PubMed ID: 15340915
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations.
    Durdagi S; Mavromoustakos T; Chronakis N; Papadopoulos MG
    Bioorg Med Chem; 2008 Dec; 16(23):9957-74. PubMed ID: 18996019
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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; 49(12):3478-84. PubMed ID: 16759090
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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; 128(36):11830-9. PubMed ID: 16953623
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
    Vega S; Kang LW; Velazquez-Campoy A; Kiso Y; Amzel LM; Freire E
    Proteins; 2004 May; 55(3):594-602. PubMed ID: 15103623
    [TBL] [Abstract][Full Text] [Related]  

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

  • 17. A molecular dynamics study comparing a wild-type with a multiple drug resistant HIV protease: differences in flap and aspartate 25 cavity dimensions.
    Seibold SA; Cukier RI
    Proteins; 2007 Nov; 69(3):551-65. PubMed ID: 17623840
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Prediction of the binding energy for small molecules, peptides and proteins.
    Schapira M; Totrov M; Abagyan R
    J Mol Recognit; 1999; 12(3):177-90. PubMed ID: 10398408
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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; 65(2):407-23. PubMed ID: 16941468
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Combinatorial design of nonsymmetrical cyclic urea inhibitors of aspartic protease of HIV-1.
    Frecer V; Burello E; Miertus S
    Bioorg Med Chem; 2005 Sep; 13(18):5492-501. PubMed ID: 16054372
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.