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154 related items for PubMed ID: 20574583

  • 1. Valence bond all the way: from the degenerate H-exchange to cytochrome P450.
    Shaik S.
    Phys Chem Chem Phys; 2010 Aug 21; 12(31):8706-20. PubMed ID: 20574583
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  • 3. The valence bond way: reactivity patterns of cytochrome P450 enzymes and synthetic analogs.
    Shaik S, Lai W, Chen H, Wang Y.
    Acc Chem Res; 2010 Aug 17; 43(8):1154-65. PubMed ID: 20527755
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  • 5. Is the ruthenium analogue of compound I of cytochrome p450 an efficient oxidant? A theoretical investigation of the methane hydroxylation reaction.
    Sharma PK, De Visser SP, Ogliaro F, Shaik S.
    J Am Chem Soc; 2003 Feb 26; 125(8):2291-300. PubMed ID: 12590559
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  • 7. An accurate barrier for the hydrogen exchange reaction from valence bond theory: is this theory coming of age?
    Song L, Wu W, Hiberty PC, Danovich D, Shaik S.
    Chemistry; 2003 Sep 22; 9(18):4540-7. PubMed ID: 14502640
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  • 9. Radical clock substrates, their C-H hydroxylation mechanism by cytochrome P450, and other reactivity patterns: what does theory reveal about the clocks' behavior?
    Kumar D, de Visser SP, Sharma PK, Cohen S, Shaik S.
    J Am Chem Soc; 2004 Feb 18; 126(6):1907-20. PubMed ID: 14871124
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  • 10. Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes.
    Hirao H, Kumar D, Que L, Shaik S.
    J Am Chem Soc; 2006 Jul 05; 128(26):8590-606. PubMed ID: 16802826
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  • 11. Is the bound substrate in nitric oxide synthase protonated or neutral and what is the active oxidant that performs substrate hydroxylation?
    de Visser SP, Tan LS.
    J Am Chem Soc; 2008 Oct 01; 130(39):12961-74. PubMed ID: 18774806
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  • 13. Sulfoxidation mechanisms catalyzed by cytochrome P450 and horseradish peroxidase models: spin selection induced by the ligand.
    Kumar D, de Visser SP, Sharma PK, Hirao H, Shaik S.
    Biochemistry; 2005 Jun 07; 44(22):8148-58. PubMed ID: 15924434
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  • 17. Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450.
    Hirao H, Kumar D, Thiel W, Shaik S.
    J Am Chem Soc; 2005 Sep 21; 127(37):13007-18. PubMed ID: 16159296
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  • 19. Substitution of hydrogen by deuterium changes the regioselectivity of ethylbenzene hydroxylation by an oxo-iron-porphyrin catalyst.
    de Visser SP.
    Chemistry; 2006 Oct 25; 12(31):8168-77. PubMed ID: 16871510
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  • 20. Theoretical and experimental studies of the conversion of chromopyrrolic acid to an antitumor derivative by cytochrome P450 StaP: the catalytic role of water molecules.
    Wang Y, Chen H, Makino M, Shiro Y, Nagano S, Asamizu S, Onaka H, Shaik S.
    J Am Chem Soc; 2009 May 20; 131(19):6748-62. PubMed ID: 19385626
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