Cysteine protease inhibition by nitrile-based inhibitors: a computational study

door Quesne, Matthew G., Ward, Richard A., de Visser, Sam P.
Gepubliceerd in 2013

Hydrogen-Bonding Interactions Trigger a Spin-Flip in Iron(III) Porphyrin Complexes**

door Sahoo, Dipankar, Quesne, Matthew G, de Visser, Sam P, Rath, Sankar Prasad
Gepubliceerd in Angew Chem Weinheim Bergstr Ger (2015)

Hydrogen-Bonding Interactions Trigger a Spin-Flip in Iron(III) Porphyrin Complexes**

door Sahoo, Dipankar, Quesne, Matthew G, de Visser, Sam P, Rath, Sankar Prasad
Gepubliceerd in Angew Chem Int Ed Engl (2015)

Advances in Sustainable Catalysis: A Computational Perspective

door Quesne, Matthew G., Silveri, Fabrizio, de Leeuw, Nora H., Catlow, C. Richard A.
Gepubliceerd in Front Chem (2019)

Differences and Comparisons of the Properties and Reactivities of Iron(III)–hydroperoxo Complexes with Saturated Coordination Sphere

door Faponle, Abayomi S, Quesne, Matthew G, Sastri, Chivukula V, Banse, Frédéric, de Visser, Sam P
Gepubliceerd in Chemistry (2015)

DNA Damage: Quantum Mechanics/Molecular Mechanics Study on the Oxygen Binding and Substrate Hydroxylation Step in AlkB Repair Enzymes

door Quesne, Matthew G, Latifi, Reza, Gonzalez-Ovalle, Luis E, Kumar, Devesh, de Visser, Sam P
Gepubliceerd in 2014

Axial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexes

door Gonzalez-Ovalle, Luis E., Quesne, Matthew G., Kumar, Devesh, Goldberg, David P., de Visser, Sam P.
Gepubliceerd in 2012

Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non-Heme Iron(III) Complexes

door Jastrzebski, Robin, Quesne, Matthew G, Weckhuysen, Bert M, de Visser, Sam P, Bruijnincx, Pieter C A
Gepubliceerd in Chemistry (2014)

Singlet versus Triplet Reactivity in an Mn(V)–Oxo Species: Testing Theoretical Predictions Against Experimental Evidence

door Yang, Tzuhsiung, Quesne, Matthew G., Neu, Heather M., Cantú Reinhard, Fabián G., Goldberg, David P., de Visser, Sam P.
Gepubliceerd in J Am Chem Soc (2016)

Secondary Coordination Sphere Influence on the Reactivity of Nonheme Iron(II) Complexes: An Experimental and DFT Approach

door Sahu, Sumit, Widger, Leland R., Quesne, Matthew G., de Visser, Sam P., Matsumura, Hirotoshi, Moënne-Loccoz, Pierre, Siegler, Maxime A., Goldberg, David P.
Gepubliceerd in 2013

Oxygen-Atom Transfer Reactivity of Axially Ligated Mn(V)–Oxo Complexes: Evidence for Enhanced Electrophilic and Nucleophilic Pathways

door Neu, Heather M., Yang, Tzuhsiung, Baglia, Regina A., Yosca, Timothy H., Green, Michael T., Quesne, Matthew G., de Visser, Sam P., Goldberg, David P.
Gepubliceerd in 2014

Identification and Spectroscopic Characterization of Nonheme Iron(III) Hypochlorite Intermediates**

door Draksharapu, Apparao, Angelone, Davide, Quesne, Matthew G, Padamati, Sandeep K, Gómez, Laura, Hage, Ronald, Costas, Miquel, Browne, Wesley R, de Visser, Sam P
Gepubliceerd in Angew Chem Int Ed Engl (2015)

Identification and Spectroscopic Characterization of Nonheme Iron(III) Hypochlorite Intermediates

door Draksharapu, Apparao, Angelone, Davide, Quesne, Matthew G., Padamati, Sandeep K., Gómez, Laura, Hage, Ronald, Costas, Miquel, Browne, Wesley R., de Visser, Sam P.
Gepubliceerd in Angew Chem Weinheim Bergstr Ger (2015)

Combined Experimental and Theoretical Study of the Competitive Absorption of CO(2) and NO(2) by a Superbase Ionic Liquid

door Greer, Adam J., Taylor, S. F. Rebecca, Daly, Helen, Quesne, Matthew G., de Leeuw, Nora H., Catlow, C. Richard A., Jacquemin, Johan, Hardacre, Christopher
Gepubliceerd in ACS Sustain Chem Eng (2021)

Origin of the Proton-transfer Step in the Cofactor-free (1H)-3-Hydroxy-4-oxoquinaldine 2,4-Dioxygenase: EFFECT OF THE BASICITY OF AN ACTIVE SITE HIS RESIDUE

door Hernandez-Ortega, Aitor, Quesne, Matthew G., Bui, Soi, Heuts, Dominic P. H. M., Steiner, Roberto A., Heyes, Derren J., de Visser, Sam P., Scrutton, Nigel S.
Gepubliceerd in 2014

Direct Observation of a Nonheme Iron(IV)–Oxo Complex That Mediates Aromatic C–F Hydroxylation

door Sahu, Sumit, Quesne, Matthew G., Davies, Casey G., Dürr, Maximilian, Ivanović-Burmazović, Ivana, Siegler, Maxime A., Jameson, Guy N. L., de Visser, Sam P., Goldberg, David P.
Gepubliceerd in 2014

Dramatic Influence of an Anionic Donor on the Oxygen-Atom Transfer Reactivity of a Mn(V)–Oxo Complex

door Neu, Heather M, Quesne, Matthew G, Yang, Tzuhsiung, Prokop-Prigge, Katharine A, Lancaster, Kyle M, Donohoe, James, DeBeer, Serena, de Visser, Sam P, Goldberg, David P
Gepubliceerd in Chemistry (2014)

A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase

door Ortmayer, Mary, Hardy, Florence J., Quesne, Matthew G., Fisher, Karl, Levy, Colin, Heyes, Derren J., Catlow, C. Richard A., de Visser, Sam P., Rigby, Stephen E. J., Hay, Sam, Green, Anthony P.
Gepubliceerd in JACS Au (2021)