BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

793 related articles for article (PubMed ID: 17966992)

  • 1. The reaction mechanism of paraoxon hydrolysis by phosphotriesterase from combined QM/MM simulations.
    Wong KY; Gao J
    Biochemistry; 2007 Nov; 46(46):13352-69. PubMed ID: 17966992
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical study of the phosphotriesterase reaction mechanism.
    Chen SL; Fang WH; Himo F
    J Phys Chem B; 2007 Feb; 111(6):1253-5. PubMed ID: 17253743
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Coordination number of zinc ions in the phosphotriesterase active site by molecular dynamics and quantum mechanics.
    Koca J; Zhan CG; Rittenhouse RC; Ornstein RL
    J Comput Chem; 2003 Feb; 24(3):368-78. PubMed ID: 12548728
    [TBL] [Abstract][Full Text] [Related]  

  • 4. In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase.
    Jackson CJ; Foo JL; Kim HK; Carr PD; Liu JW; Salem G; Ollis DL
    J Mol Biol; 2008 Feb; 375(5):1189-96. PubMed ID: 18082180
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Hydrolysis of phosphotriesters: a theoretical analysis of the enzymatic and solution mechanisms.
    López-Canut V; Ruiz-Pernía JJ; Castillo R; Moliner V; Tuñón I
    Chemistry; 2012 Jul; 18(31):9612-21. PubMed ID: 22745111
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Substrate binding and catalytic mechanism in phospholipase C from Bacillus cereus: a molecular mechanics and molecular dynamics study.
    da Graça Thrige D; Buur JR; Jørgensen FS
    Biopolymers; 1997 Sep; 42(3):319-36. PubMed ID: 9279125
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Peptide hydrolysis catalyzed by matrix metalloproteinase 2: a computational study.
    Díaz N; Suárez D
    J Phys Chem B; 2008 Jul; 112(28):8412-24. PubMed ID: 18570467
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Mechanism for the hydrolysis of organophosphates by the bacterial phosphotriesterase.
    Aubert SD; Li Y; Raushel FM
    Biochemistry; 2004 May; 43(19):5707-15. PubMed ID: 15134445
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Stereoselectivity of phosphotriesterase with paraoxon derivatives: a computational study.
    Zhan D; Guan S; Jin H; Han W; Wang S
    J Biomol Struct Dyn; 2016; 34(3):600-11. PubMed ID: 25929154
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase.
    Zhang X; Wu R; Song L; Lin Y; Lin M; Cao Z; Wu W; Mo Y
    J Comput Chem; 2009 Nov; 30(15):2388-401. PubMed ID: 19353598
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Reaction-path energetics and kinetics of the hydride transfer reaction catalyzed by dihydrofolate reductase.
    Garcia-Viloca M; Truhlar DG; Gao J
    Biochemistry; 2003 Nov; 42(46):13558-75. PubMed ID: 14622003
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complex.
    Rungrotmongkol T; Mulholland AJ; Hannongbua S
    J Mol Graph Model; 2007 Jul; 26(1):1-13. PubMed ID: 17046299
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A computational study of the deacylation mechanism of human butyrylcholinesterase.
    Suárez D; Díaz N; Fontecilla-Camps J; Field MJ
    Biochemistry; 2006 Jun; 45(24):7529-43. PubMed ID: 16768449
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Water-Regulated Mechanisms for Degradation of Pesticides Paraoxon and Parathion by Phosphotriesterase: Insight from QM/MM and MD Simulations.
    Fu Y; Fan F; Wang B; Cao Z
    Chem Asian J; 2022 Jul; 17(14):e202200439. PubMed ID: 35586954
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Molecular dynamics simulations of the dinuclear zinc-beta-lactamase from Bacteroides fragilis complexed with imipenem.
    Suárez D; Díaz N; Merz KM
    J Comput Chem; 2002 Dec; 23(16):1587-600. PubMed ID: 12395427
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping.
    Xiang Y; Warshel A
    J Phys Chem B; 2008 Jan; 112(3):1007-15. PubMed ID: 18166038
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Base Mechanism to the Hydrolysis of Phosphate Triester Promoted by the Cd
    Chagas MA; Pereira ES; Godinho MPB; Da Silva JCS; Rocha WR
    Inorg Chem; 2018 May; 57(10):5888-5902. PubMed ID: 29746110
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Mechanisms of guanosine triphosphate hydrolysis by Ras and Ras-GAP proteins as rationalized by ab initio QM/MM simulations.
    Grigorenko BL; Nemukhin AV; Shadrina MS; Topol IA; Burt SK
    Proteins; 2007 Feb; 66(2):456-66. PubMed ID: 17094109
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Protonation of the binuclear metal center within the active site of phosphotriesterase.
    Samples CR; Howard T; Raushel FM; DeRose VJ
    Biochemistry; 2005 Aug; 44(33):11005-13. PubMed ID: 16101284
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Mechanism of aldehyde oxidation catalyzed by horse liver alcohol dehydrogenase.
    Olson LP; Luo J; Almarsson O; Bruice TC
    Biochemistry; 1996 Jul; 35(30):9782-91. PubMed ID: 8703951
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 40.