230 related articles for article (PubMed ID: 12051929)
1. 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]
2. 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]
3. Protein promiscuity: drug resistance and native functions--HIV-1 case.
Fernández A; Tawfik DS; Berkhout B; Sanders R; Kloczkowski A; Sen T; Jernigan B
J Biomol Struct Dyn; 2005 Jun; 22(6):615-24. PubMed ID: 15842167
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Substrate binding mechanism of HIV-1 protease from explicit-solvent atomistic simulations.
Pietrucci F; Marinelli F; Carloni P; Laio A
J Am Chem Soc; 2009 Aug; 131(33):11811-8. PubMed ID: 19645490
[TBL] [Abstract][Full Text] [Related]
6. A major role for a set of non-active site mutations in the development of HIV-1 protease drug resistance.
Muzammil S; Ross P; Freire E
Biochemistry; 2003 Jan; 42(3):631-8. PubMed ID: 12534275
[TBL] [Abstract][Full Text] [Related]
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; 315(1):21-52. PubMed ID: 11771964
[TBL] [Abstract][Full Text] [Related]
8. Characterization of two hydrophobic methyl clusters in HIV-1 protease by NMR spin relaxation in solution.
Ishima R; Louis JM; Torchia DA
J Mol Biol; 2001 Jan; 305(3):515-21. PubMed ID: 11152609
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model.
Wang W; Kollman PA
J Mol Biol; 2000 Nov; 303(4):567-82. PubMed ID: 11054292
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. 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]
13. 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]
14. 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]
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; 51(3):409-22. PubMed ID: 12696052
[TBL] [Abstract][Full Text] [Related]
16. Predicting drug-resistant mutations of HIV protease.
Ishikita H; Warshel A
Angew Chem Int Ed Engl; 2008; 47(4):697-700. PubMed ID: 18058968
[No Abstract] [Full Text] [Related]
17. Prediction of HIV-1 protease inhibitor resistance using a protein-inhibitor flexible docking approach.
Jenwitheesuk E; Samudrala R
Antivir Ther; 2005; 10(1):157-66. PubMed ID: 15751773
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Large-scale motions and electrostatic properties of furin and HIV-1 protease.
Carnevale V; Raugei S; Micheletti C; Carloni P
J Phys Chem A; 2007 Dec; 111(49):12327-32. PubMed ID: 18001009
[TBL] [Abstract][Full Text] [Related]
20. Accurate ensemble molecular dynamics binding free energy ranking of multidrug-resistant HIV-1 proteases.
Sadiq SK; Wright DW; Kenway OA; Coveney PV
J Chem Inf Model; 2010 May; 50(5):890-905. PubMed ID: 20384328
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]