BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

241 related articles for article (PubMed ID: 16508951)

  • 1. Restrained molecular dynamics simulations of HIV-1 protease: the first step in validating a new target for drug design.
    Perryman AL; Lin JH; McCammon JA
    Biopolymers; 2006 Jun; 82(3):272-84. PubMed ID: 16508951
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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; 67(5):336-45. PubMed ID: 16784458
    [TBL] [Abstract][Full Text] [Related]  

  • 3. HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs.
    Perryman AL; Lin JH; McCammon JA
    Protein Sci; 2004 Apr; 13(4):1108-23. PubMed ID: 15044738
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular dynamics and free energy studies on the wild-type and double mutant HIV-1 protease complexed with amprenavir and two amprenavir-related inhibitors: mechanism for binding and drug resistance.
    Hou T; Yu R
    J Med Chem; 2007 Mar; 50(6):1177-88. PubMed ID: 17300185
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. Insights into a mutation-assisted lateral drug escape mechanism from the HIV-1 protease active site.
    Sadiq SK; Wan S; Coveney PV
    Biochemistry; 2007 Dec; 46(51):14865-77. PubMed ID: 18052195
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Flap opening mechanism of HIV-1 protease.
    Tóth G; Borics A
    J Mol Graph Model; 2006 May; 24(6):465-74. PubMed ID: 16188477
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Binding pathways of ligands to HIV-1 protease: coarse-grained and atomistic simulations.
    Chang CE; Trylska J; Tozzini V; McCammon JA
    Chem Biol Drug Des; 2007 Jan; 69(1):5-13. PubMed ID: 17313452
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Domain flexibility in retroviral proteases: structural implications for drug resistant mutations.
    Rose RB; Craik CS; Stroud RM
    Biochemistry; 1998 Feb; 37(8):2607-21. PubMed ID: 9485411
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. 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; 51(3):409-22. PubMed ID: 12696052
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. 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; 49(7):1751-61. PubMed ID: 19537723
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Drug design: new inhibitors for HIV-1 protease based on Nelfinavir as lead.
    Perez MA; Fernandes PA; Ramos MJ
    J Mol Graph Model; 2007 Oct; 26(3):634-42. PubMed ID: 17459746
    [TBL] [Abstract][Full Text] [Related]  

  • 17. "Wide-open" 1.3 A structure of a multidrug-resistant HIV-1 protease as a drug target.
    Martin P; Vickrey JF; Proteasa G; Jimenez YL; Wawrzak Z; Winters MA; Merigan TC; Kovari LC
    Structure; 2005 Dec; 13(12):1887-95. PubMed ID: 16338417
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Role of conformational fluctuations in the enzymatic reaction of HIV-1 protease.
    Piana S; Carloni P; Parrinello M
    J Mol Biol; 2002 May; 319(2):567-83. PubMed ID: 12051929
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Structural and dynamical properties of different protonated states of mutant HIV-1 protease complexed with the saquinavir inhibitor studied by molecular dynamics simulations.
    Aruksakunwong O; Wittayanarakul K; Sompornpisut P; Sanghiran V; Parasuk V; Hannongbua S
    J Mol Graph Model; 2006 Nov; 25(3):324-32. PubMed ID: 16504560
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An alternative strategy for inhibiting multidrug-resistant mutants of the dimeric HIV-1 protease by targeting the subunit interface.
    Bannwarth L; Reboud-Ravaux M
    Biochem Soc Trans; 2007 Jun; 35(Pt 3):551-4. PubMed ID: 17511649
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.