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Journal Abstract Search

218 related items for PubMed ID: 22516655

  • 1. The reaction mechanisms of heme catalases: an atomistic view by ab initio molecular dynamics.
    Alfonso-Prieto M, Vidossich P, Rovira C.
    Arch Biochem Biophys; 2012 Sep 15; 525(2):121-30. PubMed ID: 22516655
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  • 2. Electronic state of the molecular oxygen released by catalase.
    Alfonso-Prieto M, Vidossich P, Rodríguez-Fortea A, Carpena X, Fita I, Loewen PC, Rovira C.
    J Phys Chem A; 2008 Dec 18; 112(50):12842-8. PubMed ID: 18816030
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  • 3. Catalases versus peroxidases: DFT investigation of H₂O₂ oxidation in models systems and implications for heme protein engineering.
    Vidossich P, Alfonso-Prieto M, Rovira C.
    J Inorg Biochem; 2012 Dec 18; 117():292-7. PubMed ID: 22883961
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  • 4. Proton transfer drives protein radical formation in Helicobacter pylori catalase but not in Penicillium vitale catalase.
    Alfonso-Prieto M, Oberhofer H, Klein ML, Rovira C, Blumberger J.
    J Am Chem Soc; 2011 Mar 30; 133(12):4285-98. PubMed ID: 21381757
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  • 6. The molecular mechanism of the catalase reaction.
    Alfonso-Prieto M, Biarnés X, Vidossich P, Rovira C.
    J Am Chem Soc; 2009 Aug 26; 131(33):11751-61. PubMed ID: 19653683
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  • 7. Fungal catalases: function, phylogenetic origin and structure.
    Hansberg W, Salas-Lizana R, Domínguez L.
    Arch Biochem Biophys; 2012 Sep 15; 525(2):170-80. PubMed ID: 22698962
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  • 8. The dynamic role of distal side residues in heme hydroperoxidase catalysis. Interplay between X-ray crystallography and ab initio MD simulations.
    Vidossich P, Alfonso-Prieto M, Carpena X, Fita I, Loewen PC, Rovira C.
    Arch Biochem Biophys; 2010 Aug 01; 500(1):37-44. PubMed ID: 20447375
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  • 9. DFT calculations suggest a new type of self-protection and self-inhibition mechanism in the mammalian heme enzyme myeloperoxidase: nucleophilic addition of a functional water rather than one-electron reduction.
    Sicking W, Somnitz H, Schmuck C.
    Chemistry; 2012 Aug 27; 18(35):10937-48. PubMed ID: 22829409
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  • 10. On the functional role of a water molecule in clade 3 catalases: a proposal for the mechanism by which NADPH prevents the formation of compound II.
    Sicking W, Korth HG, de Groot H, Sustmann R.
    J Am Chem Soc; 2008 Jun 11; 130(23):7345-56. PubMed ID: 18479132
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  • 13. What is the active species of cytochrome P450 during camphor hydroxylation? QM/MM studies of different electronic states of compound I and of reduced and oxidized iron-oxo intermediates.
    Altun A, Shaik S, Thiel W.
    J Am Chem Soc; 2007 Jul 25; 129(29):8978-87. PubMed ID: 17595079
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  • 14. Flavonoid-induced conversion of catalase to its inactive form--Compound II.
    Krych J, Gebicki JL, Gebicka L.
    Free Radic Res; 2014 Nov 25; 48(11):1334-41. PubMed ID: 25111015
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  • 20. Gauging the relative oxidative powers of compound I, ferric-hydroperoxide, and the ferric-hydrogen peroxide species of cytochrome P450 toward C-H hydroxylation of a radical clock substrate.
    Derat E, Kumar D, Hirao H, Shaik S.
    J Am Chem Soc; 2006 Jan 18; 128(2):473-84. PubMed ID: 16402834
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