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An iron-oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase

Chemical communications (Cambridge, England), 2016-01, Vol.52 (57), p.8814-8817

2016

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Multi-State Epoxidation of Ethene by Cytochrome P450: A Quantum Chemical Study

Journal of the American Chemical Society, 2001-04, Vol.123 (13), p.3037-3047

2001

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A Model “Rebound” Mechanism of Hydroxylation by Cytochrome P450: Stepwise and Effectively Concerted Pathways, and Their Reactivity Patterns

Journal of the American Chemical Society, 2000-09, Vol.122 (37), p.8977-8989

2000

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Medium Polarization and Hydrogen Bonding Effects on Compound I of Cytochrome P450: What Kind of a Radical Is It Really?

Journal of the American Chemical Society, 2000-12, Vol.122 (51), p.12892-12893

2000

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Oxygen Economy of Cytochrome P450: What Is the Origin of the Mixed Functionality as a Dehydrogenase−Oxidase Enzyme Compared with Its Normal Function?

Journal of the American Chemical Society, 2004-04, Vol.126 (16), p.5072-5073

2004

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One oxidant, many pathways: a theoretical perspective of monooxygenation mechanisms by cytochrome P450 enzymes

Journal of biological inorganic chemistry, 2004-09, Vol.9 (6), p.661-668

2004

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Site-selective formation of an iron(iv)-oxo species at the more electron-rich iron atom of heteroleptic μ-nitrido diiron phthalocyanines

Chemical science (Cambridge), 2015-08, Vol.6 (8), p.5063-5075

2015

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Mechanism of Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes

Chemical reviews, 2004-09, Vol.104 (9), p.3947-3980

2004

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Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes

Chemical reviews, 2005-06, Vol.105 (6), p.2279-2328

2005

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Stereospecific oxidation by compound I of cytochrome P450 does not proceed in a concerted synchronous manner

Chemical communications (Cambridge, England), 2001-11 (22), p.2322-2323

2001

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REKS calculations on ortho-, meta- and para-benzyne

Physical chemistry chemical physics : PCCP, 2000-01, Vol.2 (22), p.5046-5048

2000

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Myers-Saito and schmittel cyclization of hepta-1,2,4-triene-6-yne : A theoretical REKS study

PCCP. Physical chemistry chemical physics (Print), 2001-01, Vol.3 (7), p.1242-1245

2001

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A Proton-Shuttle Mechanism Mediated by the Porphyrin in Benzene Hydroxylation by Cytochrome P450 Enzymes

Journal of the American Chemical Society, 2003-06, Vol.125 (24), p.7413-7424

2003

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External Electric Field Will Control the Selectivity of Enzymatic-Like Bond Activations

Journal of the American Chemical Society, 2004-09, Vol.126 (37), p.11746-11749

2004

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Differences in and Comparison of the Catalytic Properties of Heme and Non-Heme Enzymes with a Central Oxo-Iron Group

Angewandte Chemie (International ed.), 2006-03, Vol.45 (11), p.1790-1793

de Visser, Sam P.

2006

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Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory

Current Opinion in Chemical Biology, 2002-10, Vol.6 (5), p.556-567

2002

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A Predictive Pattern of Computed Barriers for C−H Hydroxylation by Compound I of Cytochrome P450

Journal of the American Chemical Society, 2004-07, Vol.126 (27), p.8362-8363

2004

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An iron-oxygen intermediate formed during the catalytic cycle of cysteine dioxygenaseElectronic supplementary information (ESI) available: Experimental and computational details. See DOI: 10.1039/c6cc03904a

2016-07

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What Factors Affect the Regioselectivity of Oxidation by Cytochrome P450? A DFT Study of Allylic Hydroxylation and Double Bond Epoxidation in a Model Reaction

Journal of the American Chemical Society, 2002-10, Vol.124 (39), p.11809-11826

2002

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An iron–oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase† †Electronic supplementary information (ESI) available: Experimental and computational details. See DOI: 10.1039/c6cc03904a Click here for additional data file

Chemical communications (Cambridge, England), 2016-06, Vol.52 (57), p.8814-8817

2016

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Radical Clock Substrates, Their C−H Hydroxylation Mechanism by Cytochrome P450, and Other Reactivity Patterns: What Does Theory Reveal about the Clocks' Behavior?

Journal of the American Chemical Society, 2004-02, Vol.126 (6), p.1907-1920

2004

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Searching for the Second Oxidant in the Catalytic Cycle of Cytochrome P450: A Theoretical Investigation of the Iron(III)-Hydroperoxo Species and Its Epoxidation Pathways

Journal of the American Chemical Society, 2002-03, Vol.124 (11), p.2806-2817

2002

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Multistate Reactivity in Styrene Epoxidation by Compound I of Cytochrome P450: Mechanisms of Products and Side Products Formation

Chemistry : a European journal, 2005-04, Vol.11 (9), p.2825-2835

2005

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Active Species of Horseradish Peroxidase (HRP) and Cytochrome P450: Two Electronic Chameleons

Journal of the American Chemical Society, 2003-12, Vol.125 (51), p.15779-15788

2003

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Theory Favors a Stepwise Mechanism of Porphyrin Degradation by a Ferric Hydroperoxide Model of the Active Species of Heme Oxygenase

Journal of the American Chemical Society, 2005-06, Vol.127 (22), p.8204-8213

2005

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An iron-oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase

Multi-State Epoxidation of Ethene by Cytochrome P450: A Quantum Chemical Study

A Model “Rebound” Mechanism of Hydroxylation by Cytochrome P450: Stepwise and Effectively Concerted Pathways, and Their Reactivity Patterns

Medium Polarization and Hydrogen Bonding Effects on Compound I of Cytochrome P450: What Kind of a Radical Is It Really?

Oxygen Economy of Cytochrome P450: What Is the Origin of the Mixed Functionality as a Dehydrogenase−Oxidase Enzyme Compared with Its Normal Function?

One oxidant, many pathways: a theoretical perspective of monooxygenation mechanisms by cytochrome P450 enzymes

Site-selective formation of an iron(iv)-oxo species at the more electron-rich iron atom of heteroleptic μ-nitrido diiron phthalocyanines

Mechanism of Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes

Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes

Stereospecific oxidation by compound I of cytochrome P450 does not proceed in a concerted synchronous manner

REKS calculations on ortho-, meta- and para-benzyne

Myers-Saito and schmittel cyclization of hepta-1,2,4-triene-6-yne : A theoretical REKS study

A Proton-Shuttle Mechanism Mediated by the Porphyrin in Benzene Hydroxylation by Cytochrome P450 Enzymes

External Electric Field Will Control the Selectivity of Enzymatic-Like Bond Activations

Differences in and Comparison of the Catalytic Properties of Heme and Non-Heme Enzymes with a Central Oxo-Iron Group

Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory

A Predictive Pattern of Computed Barriers for C−H Hydroxylation by Compound I of Cytochrome P450

An iron-oxygen intermediate formed during the catalytic cycle of cysteine dioxygenaseElectronic supplementary information (ESI) available: Experimental and computational details. See DOI: 10.1039/c6cc03904a

What Factors Affect the Regioselectivity of Oxidation by Cytochrome P450? A DFT Study of Allylic Hydroxylation and Double Bond Epoxidation in a Model Reaction

An iron–oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase† †Electronic supplementary information (ESI) available: Experimental and computational details. See DOI: 10.1039/c6cc03904a Click here for additional data file

Radical Clock Substrates, Their C−H Hydroxylation Mechanism by Cytochrome P450, and Other Reactivity Patterns: What Does Theory Reveal about the Clocks' Behavior?

Searching for the Second Oxidant in the Catalytic Cycle of Cytochrome P450: A Theoretical Investigation of the Iron(III)-Hydroperoxo Species and Its Epoxidation Pathways

Multistate Reactivity in Styrene Epoxidation by Compound I of Cytochrome P450: Mechanisms of Products and Side Products Formation

Active Species of Horseradish Peroxidase (HRP) and Cytochrome P450: Two Electronic Chameleons

Theory Favors a Stepwise Mechanism of Porphyrin Degradation by a Ferric Hydroperoxide Model of the Active Species of Heme Oxygenase

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