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373 related items for PubMed ID: 12946137

  • 1. Computational study on mechanistic details of the aminoethanol rearrangement catalyzed by the vitamin B12-dependent ethanolamine ammonia lyase: His and Asp/Glu acting simultaneously as catalytic auxiliaries.
    Semialjac M, Schwarz H.
    J Org Chem; 2003 Sep 05; 68(18):6967-83. PubMed ID: 12946137
    [Abstract] [Full Text] [Related]

  • 2. Computational investigation of hydrogen abstraction from 2-aminoethanol by the 1,5-dideoxyribose-5-yl radical: a model study of a reaction occurring in the active site of ethanolamine ammonia lyase.
    Semialjac M, Schwarz H.
    Chemistry; 2004 Jun 07; 10(11):2781-8. PubMed ID: 15195308
    [Abstract] [Full Text] [Related]

  • 3. Computational exploration of rearrangements related to the vitamin B12-dependent ethanolamine ammonia lyase catalyzed transformation.
    Semialjac M, Schwarz H.
    J Am Chem Soc; 2002 Jul 31; 124(30):8974-83. PubMed ID: 12137553
    [Abstract] [Full Text] [Related]

  • 4. Retro-[3 + 2]-cycloaddition reactions in the decomposition of five-membered nitrogen-containing heterocycles.
    da Silva G, Bozzelli JW.
    J Org Chem; 2008 Feb 15; 73(4):1343-53. PubMed ID: 18197676
    [Abstract] [Full Text] [Related]

  • 5. How is a co-methyl intermediate formed in the reaction of cobalamin-dependent methionine synthase? Theoretical evidence for a two-step methyl cation transfer mechanism.
    Chen SL, Blomberg MR, Siegbahn PE.
    J Phys Chem B; 2011 Apr 14; 115(14):4066-77. PubMed ID: 21417249
    [Abstract] [Full Text] [Related]

  • 6. Thermodynamic and ab initio analysis of the controversial enthalpy of formation of formaldehyde.
    da Silva G, Bozzelli JW, Sebbar N, Bockhorn H.
    Chemphyschem; 2006 May 12; 7(5):1119-26. PubMed ID: 16596698
    [Abstract] [Full Text] [Related]

  • 7. Concerning the reaction between singlet nitrenium ions and water: a computational investigation on competitive reaction paths.
    Facchini P, Grandinetti F.
    J Comput Chem; 2003 Apr 15; 24(5):547-64. PubMed ID: 12632470
    [Abstract] [Full Text] [Related]

  • 8. Polar group enhanced gas-phase acidities of carboxylic acids: an investigation of intramolecular electrostatic interaction.
    Ren J.
    J Phys Chem A; 2006 Dec 21; 110(50):13405-11. PubMed ID: 17165865
    [Abstract] [Full Text] [Related]

  • 9. DFT study of the mechanisms of in water Au(I)-catalyzed tandem [3,3]-rearrangement/Nazarov reaction/[1,2]-hydrogen shift of enynyl acetates: a proton-transport catalysis strategy in the water-catalyzed [1,2]-hydrogen shift.
    Shi FQ, Li X, Xia Y, Zhang L, Yu ZX.
    J Am Chem Soc; 2007 Dec 19; 129(50):15503-12. PubMed ID: 18027935
    [Abstract] [Full Text] [Related]

  • 10. Differential effects of the Zn-His-Bkb vs Zn-His-[Asp/Glu] triad on Zn-core stability and reactivity.
    Lin YL, Lee YM, Lim C.
    J Am Chem Soc; 2005 Aug 17; 127(32):11336-47. PubMed ID: 16089463
    [Abstract] [Full Text] [Related]

  • 11. Computational mutation analysis of hydrogen abstraction and radical rearrangement steps in the catalysis of coenzyme B12-dependent diol dehydratase.
    Kamachi T, Toraya T, Yoshizawa K.
    Chemistry; 2007 Aug 17; 13(28):7864-73. PubMed ID: 17614304
    [Abstract] [Full Text] [Related]

  • 12. The electrostatic driving force for nucleophilic catalysis in L-arginine deiminase: a combined experimental and theoretical study.
    Li L, Li Z, Wang C, Xu D, Mariano PS, Guo H, Dunaway-Mariano D.
    Biochemistry; 2008 Apr 22; 47(16):4721-32. PubMed ID: 18366187
    [Abstract] [Full Text] [Related]

  • 13. DNA polymerase beta catalysis: are different mechanisms possible?
    Alberts IL, Wang Y, Schlick T.
    J Am Chem Soc; 2007 Sep 12; 129(36):11100-10. PubMed ID: 17696533
    [Abstract] [Full Text] [Related]

  • 14. Factors governing the protonation state of Zn-bound histidine in proteins: a DFT/CDM study.
    Lin YL, Lim C.
    J Am Chem Soc; 2004 Mar 03; 126(8):2602-12. PubMed ID: 14982470
    [Abstract] [Full Text] [Related]

  • 15. Molecular orbital calculations of ring opening of the isoelectronic cyclopropylcarbinyl radical, cyclopropoxy radical, and cyclopropylaminium radical cation series of radical clocks.
    Cooksy AL, King HF, Richardson WH.
    J Org Chem; 2003 Nov 28; 68(24):9441-52. PubMed ID: 14629170
    [Abstract] [Full Text] [Related]

  • 16. Understanding the mechanism of action of B12-dependent ethanolamine ammonia-lyase: synergistic interactions at play.
    Wetmore SD, Smith DM, Bennett JT, Radom L.
    J Am Chem Soc; 2002 Nov 27; 124(47):14054-65. PubMed ID: 12440904
    [Abstract] [Full Text] [Related]

  • 17. Radical formation of amino acid precursors in interstellar regions? Ser, Cys and Asp.
    Knowles DJ, Wang T, Bowie JH.
    Org Biomol Chem; 2010 Nov 07; 8(21):4934-9. PubMed ID: 20820658
    [Abstract] [Full Text] [Related]

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