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Mechanism of Oxygen Reduction in Cytochrome c Oxidase and the Role of the Active Site Tyrosine

Biochemistry (Easton), 2016-01, Vol.55 (3), p.489-500

Blomberg, Margareta R. A

2016

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Quantum Chemical Studies of Proton-Coupled Electron Transfer in Metalloenzymes

Chemical reviews, 2010-12, Vol.110 (12), p.7040-7061

2010

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Mechanism for N2O Generation in Bacterial Nitric Oxide Reductase: A Quantum Chemical Study

Biochemistry (Easton), 2012-06, Vol.51 (25), p.5173-5186

2012

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Energy Diagrams for Water Oxidation in Photosystem II Using Different Density Functionals

Journal of chemical theory and computation, 2014-01, Vol.10 (1), p.268-272

2014

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Quantum Chemical Studies of Mechanisms for Metalloenzymes

Chemical reviews, 2014-04, Vol.114 (7), p.3601-3658

2014

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Can Reduction of NO to N2O in Cytochrome c Dependent Nitric Oxide Reductase Proceed through a Trans-Mechanism?

Biochemistry (Easton), 2017-01, Vol.56 (1), p.120-131

Blomberg, Margareta R. A

2017

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The importance of exact exchange—A methodological investigation of NO reduction in heme–copper oxidases

The Journal of chemical physics, 2021-02, Vol.154 (5), p.055103-055103

Blomberg, Margareta R. A.

2021

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How Is Methane Formed and Oxidized Reversibly When Catalyzed by Ni-Containing Methyl-Coenzyme M Reductase?

Chemistry : a European journal, 2012-05, Vol.18 (20), p.6309-6315

2012

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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

The journal of physical chemistry. B, 2011-04, Vol.115 (14), p.4066-4077

2011

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An investigation of possible competing mechanisms for Ni-containing methyl-coenzyme M reductase

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (27), p.14029-14035

2014

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Role of the Two Metals in the Active Sites of Heme Copper Oxidases–A Study of NO Reduction in cbb 3 Cytochrome c Oxidase

Inorganic chemistry, 2020-08, Vol.59 (16), p.11542-11553

Blomberg, Margareta R. A

2020

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Reaction Mechanism of Apocarotenoid Oxygenase (ACO): A DFT Study

Chemistry : a European journal, 2008-02, Vol.14 (7), p.2264-2276

2008

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The Redox-Active Tyrosine Is Essential for Proton Pumping in Cytochrome c Oxidase

Frontiers in chemistry, 2021-04, Vol.9, p.640155-640155

Blomberg, Margareta R A

2021

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Significant van der Waals Effects in Transition Metal Complexes

Journal of chemical theory and computation, 2010-07, Vol.6 (7), p.2040-2044

2010

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A Systematic DFT Approach for Studying Mechanisms of Redox Active Enzymes

Frontiers in chemistry, 2018-12, Vol.6, p.644-644

2018

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DFT Study on the Catalytic Reactivity of a Functional Model Complex for Intradiol-Cleaving Dioxygenases

The journal of physical chemistry. B, 2010-05, Vol.114 (17), p.5878-5885

2010

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A combined picture from theory and experiments on water oxidation, oxygen reduction and proton pumping

Dalton transactions : an international journal of inorganic chemistry, 2009-01 (30), p.5832-5840

2009

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Improved free energy profile for reduction of NO in cytochrome c dependent nitric oxide reductase (cNOR)

Journal of computational chemistry, 2016-07, Vol.37 (19), p.1810-1818

2016

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Splitting of the O-O bond at the heme-copper catalytic site of respiratory oxidases

Science advances, 2017-06, Vol.3 (6), p.e1700279-e1700279

2017

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Activation of O and NO in heme-copper oxidases - mechanistic insights from computational modelling

Chemical Society reviews, 2020-10, Vol.49 (2), p.731-733

Blomberg, Margareta R. A

2020

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Reduction of molecular oxygen in flavodiiron proteins - Catalytic mechanism and comparison to heme-copper oxidases

Journal of inorganic biochemistry, 2024-06, Vol.255, p.112534-112534, Article 112534

2024

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Active Site Midpoint Potentials in Different Cytochrome c Oxidase Families: A Computational Comparison

Biochemistry (Easton), 2019-04, Vol.58 (15), p.2028-2038

Blomberg, Margareta R.A

2019

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Role of the Two Metals in the Active Sites of Heme Copper Oxidases-A Study of NO Reduction in cbb3 Cytochrome c Oxidase

Inorganic chemistry, 2020-08, Vol.59 (16), p.11542-11553

Blomberg, Margareta R A

2020

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Activation of O 2 and NO in heme-copper oxidases - mechanistic insights from computational modelling

Chemical Society reviews, 2020-10, Vol.49 (20), p.7301-7330

Blomberg, Margareta R A

2020

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Mechanisms for enzymatic reduction of nitric oxide to nitrous oxide - A comparison between nitric oxide reductase and cytochrome c oxidase

Biochimica et biophysica acta. Bioenergetics, 2018-11, Vol.1859 (11), p.1223-1234

2018

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Mechanism of Oxygen Reduction in Cytochrome c Oxidase and the Role of the Active Site Tyrosine

Quantum Chemical Studies of Proton-Coupled Electron Transfer in Metalloenzymes

Mechanism for N2O Generation in Bacterial Nitric Oxide Reductase: A Quantum Chemical Study

Energy Diagrams for Water Oxidation in Photosystem II Using Different Density Functionals

Quantum Chemical Studies of Mechanisms for Metalloenzymes

Can Reduction of NO to N2O in Cytochrome c Dependent Nitric Oxide Reductase Proceed through a Trans-Mechanism?

The importance of exact exchange—A methodological investigation of NO reduction in heme–copper oxidases

How Is Methane Formed and Oxidized Reversibly When Catalyzed by Ni-Containing Methyl-Coenzyme M Reductase?

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

An investigation of possible competing mechanisms for Ni-containing methyl-coenzyme M reductase

Role of the Two Metals in the Active Sites of Heme Copper Oxidases–A Study of NO Reduction in cbb 3 Cytochrome c Oxidase

Reaction Mechanism of Apocarotenoid Oxygenase (ACO): A DFT Study

The Redox-Active Tyrosine Is Essential for Proton Pumping in Cytochrome c Oxidase

Significant van der Waals Effects in Transition Metal Complexes

A Systematic DFT Approach for Studying Mechanisms of Redox Active Enzymes

DFT Study on the Catalytic Reactivity of a Functional Model Complex for Intradiol-Cleaving Dioxygenases

A combined picture from theory and experiments on water oxidation, oxygen reduction and proton pumping

Improved free energy profile for reduction of NO in cytochrome c dependent nitric oxide reductase (cNOR)

Splitting of the O-O bond at the heme-copper catalytic site of respiratory oxidases

Activation of O and NO in heme-copper oxidases - mechanistic insights from computational modelling

Reduction of molecular oxygen in flavodiiron proteins - Catalytic mechanism and comparison to heme-copper oxidases

Active Site Midpoint Potentials in Different Cytochrome c Oxidase Families: A Computational Comparison

Role of the Two Metals in the Active Sites of Heme Copper Oxidases-A Study of NO Reduction in cbb3 Cytochrome c Oxidase

Activation of O 2 and NO in heme-copper oxidases - mechanistic insights from computational modelling

Mechanisms for enzymatic reduction of nitric oxide to nitrous oxide - A comparison between nitric oxide reductase and cytochrome c oxidase

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