Matthew Quesne
Matthew Quesne
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Quantum mechanics/molecular mechanics modeling of enzymatic processes: Caveats and breakthroughs
MG Quesne, T Borowski, SP de Visser
Chemistry–A European Journal 22 (8), 2562-2581, 2016
Quantum mechanics/molecular mechanics study on the oxygen binding and substrate hydroxylation step in AlkB repair enzymes
MG Quesne, R Latifi, LE Gonzalez‐Ovalle, D Kumar, SP De Visser
Chemistry–A European Journal 20 (2), 435-446, 2014
Drug metabolism by cytochrome p450 enzymes: what distinguishes the pathways leading to substrate hydroxylation over desaturation?
L Ji, AS Faponle, MG Quesne, MA Sainna, J Zhang, A Franke, D Kumar, ...
Chemistry–A European Journal 21 (25), 9083-9092, 2015
Computational modelling of oxygenation processes in enzymes and biomimetic model complexes
SP de Visser, MG Quesne, B Martin, P Comba, U Ryde
Chemical communications 50 (3), 262-282, 2014
Origin of the Regioselective Fatty‐Acid Hydroxylation versus Decarboxylation by a Cytochrome P450 Peroxygenase: What Drives the Reaction to Biofuel Production?
AS Faponle, MG Quesne, SP de Visser
Chemistry–A European Journal 22 (16), 5478-5483, 2016
Secondary coordination sphere influence on the reactivity of nonheme iron (II) complexes: an experimental and DFT approach
S Sahu, LR Widger, MG Quesne, SP De Visser, H Matsumura, ...
Journal of the American Chemical Society 135 (29), 10590-10593, 2013
Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O2
G Qi, TE Davies, A Nasrallah, MA Sainna, AGR Howe, RJ Lewis, ...
Nature Catalysis 5 (1), 45-54, 2022
Origin of the enhanced reactivity of μ-nitrido-bridged diiron (IV)-oxo porphyrinoid complexes over cytochrome P450 Compound I
MG Quesne, D Senthilnathan, D Singh, D Kumar, P Maldivi, AB Sorokin, ...
ACS Catalysis 6 (4), 2230-2243, 2016
Bulk and surface properties of metal carbides: implications for catalysis
MG Quesne, A Roldan, NH de Leeuw, CRA Catlow
Physical Chemistry Chemical Physics 20 (10), 6905-6916, 2018
Hydrogen‐Bonding Interactions Trigger a Spin‐Flip in Iron (III) Porphyrin Complexes
D Sahoo, MG Quesne, SP de Visser, SP Rath
Angewandte Chemie 127 (16), 4878-4882, 2015
Singlet versus triplet reactivity in an mn (v)–oxo species: testing theoretical predictions against experimental evidence
T Yang, MG Quesne, HM Neu, FG Cantú Reinhard, DP Goldberg, ...
Journal of the American Chemical Society 138 (38), 12375-12386, 2016
Oxygen-atom transfer reactivity of axially ligated Mn (V)–Oxo complexes: evidence for enhanced electrophilic and nucleophilic pathways
HM Neu, T Yang, RA Baglia, TH Yosca, MT Green, MG Quesne, ...
Journal of the American Chemical Society 136 (39), 13845-13852, 2014
Catalytic mechanism of cofactor-free dioxygenases and how they circumvent spin-forbidden oxygenation of their substrates
A Hernández-Ortega, MG Quesne, S Bui, DJ Heyes, RA Steiner, ...
Journal of the American Chemical Society 137 (23), 7474-7487, 2015
An iron–oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase
EP Tchesnokov, AS Faponle, CG Davies, MG Quesne, R Turner, ...
Chemical communications 52 (57), 8814-8817, 2016
Differences and comparisons of the properties and reactivities of iron (III)–hydroperoxo complexes with saturated coordination sphere
AS Faponle, MG Quesne, CV Sastri, F Banse, SP de Visser
Chemistry–A European Journal 21 (3), 1221-1236, 2015
Direct observation of a nonheme iron (IV)–oxo complex that mediates aromatic C–F hydroxylation
S Sahu, MG Quesne, CG Davies, M Dürr, I Ivanović-Burmazović, ...
Journal of the American Chemical Society 136 (39), 13542-13545, 2014
Hydrogen adsorption on transition metal carbides: a DFT study
F Silveri, MG Quesne, A Roldan, NH De Leeuw, CRA Catlow
Physical Chemistry Chemical Physics 21 (10), 5335-5343, 2019
Identification and spectroscopic characterization of nonheme iron (III) hypochlorite intermediates
A Draksharapu, D Angelone, MG Quesne, SK Padamati, L Gómez, ...
Angewandte Chemie 127 (14), 4431-4435, 2015
Advances in sustainable catalysis: A computational perspective
MG Quesne, F Silveri, NH De Leeuw, CRA Catlow
Frontiers in chemistry 7, 182, 2019
Mechanism of CO 2 conversion to methanol over Cu (110) and Cu (100) surfaces
MD Higham, MG Quesne, CRA Catlow
Dalton Transactions 49 (25), 8478-8497, 2020
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