These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

233 related articles for article (PubMed ID: 17555303)

  • 1. Exploring SCC-DFTB paths for mapping QM/MM reaction mechanisms.
    Woodcock HL; Hodoscek M; Brooks BR
    J Phys Chem A; 2007 Jul; 111(26):5720-8. PubMed ID: 17555303
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction.
    Ranaghan KE; Ridder L; Szefczyk B; Sokalski WA; Hermann JC; Mulholland AJ
    Org Biomol Chem; 2004 Apr; 2(7):968-80. PubMed ID: 15034619
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations.
    Woodcock HL; Hodošček M; Gilbert ATB; Gill PMW; Schaefer HF; Brooks BR
    J Comput Chem; 2007 Jul; 28(9):1485-1502. PubMed ID: 17334987
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A transition path sampling study of the reaction catalyzed by the enzyme chorismate mutase.
    Crehuet R; Field MJ
    J Phys Chem B; 2007 May; 111(20):5708-18. PubMed ID: 17474768
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Multiple high-level QM/MM reaction paths demonstrate transition-state stabilization in chorismate mutase: correlation of barrier height with transition-state stabilization.
    Claeyssens F; Ranaghan KE; Manby FR; Harvey JN; Mulholland AJ
    Chem Commun (Camb); 2005 Oct; (40):5068-70. PubMed ID: 16220173
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Improved constrained optimization method for reaction-path determination in the generalized hybrid orbital quantum mechanical/molecular mechanical calculations.
    Jung J; Re S; Sugita Y; Ten-no S
    J Chem Phys; 2013 Jan; 138(4):044106. PubMed ID: 23387567
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Differential transition-state stabilization in enzyme catalysis: quantum chemical analysis of interactions in the chorismate mutase reaction and prediction of the optimal catalytic field.
    Szefczyk B; Mulholland AJ; Ranaghan KE; Sokalski WA
    J Am Chem Soc; 2004 Dec; 126(49):16148-59. PubMed ID: 15584751
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Analysis of chorismate mutase catalysis by QM/MM modelling of enzyme-catalysed and uncatalysed reactions.
    Claeyssens F; Ranaghan KE; Lawan N; Macrae SJ; Manby FR; Harvey JN; Mulholland AJ
    Org Biomol Chem; 2011 Mar; 9(5):1578-90. PubMed ID: 21243152
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Reaction path determination for quantum mechanical/molecular mechanical modeling of enzyme reactions by combining first order and second order "chain-of-replicas" methods.
    Cisneros GA; Liu H; Lu Z; Yang W
    J Chem Phys; 2005 Mar; 122(11):114502. PubMed ID: 15836224
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A hybrid potential reaction path and free energy study of the chorismate mutase reaction.
    Martí S; Andrés J; Moliner V; Silla E; Tuñón I; Bertrán J; Field MJ
    J Am Chem Soc; 2001 Feb; 123(8):1709-12. PubMed ID: 11456771
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Probing protein environment in an enzymatic process: All-electron quantum chemical analysis combined with ab initio quantum mechanical/molecular mechanical modeling of chorismate mutase.
    Ishida T
    J Chem Phys; 2008 Sep; 129(12):125105. PubMed ID: 19045066
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A definitive mechanism for chorismate mutase.
    Zhang X; Zhang X; Bruice TC
    Biochemistry; 2005 Aug; 44(31):10443-8. PubMed ID: 16060652
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Comparison of formation of reactive conformers (NACs) for the Claisen rearrangement of chorismate to prephenate in water and in the E. coli mutase: the efficiency of the enzyme catalysis.
    Hur S; Bruice TC
    J Am Chem Soc; 2003 May; 125(19):5964-72. PubMed ID: 12733937
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The monofunctional chorismate mutase from Bacillus subtilis. Structure determination of chorismate mutase and its complexes with a transition state analog and prephenate, and implications for the mechanism of the enzymatic reaction.
    Chook YM; Gray JV; Ke H; Lipscomb WN
    J Mol Biol; 1994 Jul; 240(5):476-500. PubMed ID: 8046752
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The mechanism of catalysis of the chorismate to prephenate reaction by the Escherichia coli mutase enzyme.
    Hur S; Bruice TC
    Proc Natl Acad Sci U S A; 2002 Feb; 99(3):1176-81. PubMed ID: 11818529
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Antibiotic binding to dizinc beta-lactamase L1 from Stenotrophomonas maltophilia: SCC-DFTB/CHARMM and DFT studies.
    Xu D; Guo H; Cui Q
    J Phys Chem A; 2007 Jul; 111(26):5630-6. PubMed ID: 17388313
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H; Lu Z; Parks JM; Burger SK; Yang W
    J Chem Phys; 2008 Jan; 128(3):034105. PubMed ID: 18205486
    [TBL] [Abstract][Full Text] [Related]  

  • 18. QM/MM calculations of kinetic isotope effects in the chorismate mutase active site.
    Martí S; Moliner V; Tuñón I; Williams IH
    Org Biomol Chem; 2003 Feb; 1(3):483-7. PubMed ID: 12926249
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Substrate conformational transitions in the active site of chorismate mutase: their role in the catalytic mechanism.
    Guo H; Cui Q; Lipscomb WN; Karplus M
    Proc Natl Acad Sci U S A; 2001 Jul; 98(16):9032-7. PubMed ID: 11481470
    [TBL] [Abstract][Full Text] [Related]  

  • 20. All electron quantum chemical calculation of the entire enzyme system confirms a collective catalytic device in the chorismate mutase reaction.
    Ishida T; Fedorov DG; Kitaura K
    J Phys Chem B; 2006 Jan; 110(3):1457-63. PubMed ID: 16471697
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.