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

por Quesne, Matthew G., Ward, Richard A., de Visser, Sam P.
Publicado 2013

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

por Sahoo, Dipankar, Quesne, Matthew G, de Visser, Sam P, Rath, Sankar Prasad
Publicado 2015

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

por Sahoo, Dipankar, Quesne, Matthew G, de Visser, Sam P, Rath, Sankar Prasad
Publicado 2015

Advances in Sustainable Catalysis: A Computational Perspective

por Quesne, Matthew G., Silveri, Fabrizio, de Leeuw, Nora H., Catlow, C. Richard A.
Publicado 2019

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

por Faponle, Abayomi S, Quesne, Matthew G, Sastri, Chivukula V, Banse, Frédéric, de Visser, Sam P
Publicado 2015

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

por Quesne, Matthew G, Latifi, Reza, Gonzalez-Ovalle, Luis E, Kumar, Devesh, de Visser, Sam P
Publicado 2014

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

por Jastrzebski, Robin, Quesne, Matthew G, Weckhuysen, Bert M, de Visser, Sam P, Bruijnincx, Pieter C A
Publicado 2014

Catalytic Reduction of Carbon Dioxide on the (001), (011), and (111) Surfaces of TiC and ZrC: A Computational Study

por Silveri, Fabrizio, Quesne, Matthew G., Viñes, Francesc, Illas, Francesc, Catlow, C. Richard A., de Leeuw, Nora H.
Publicado 2022

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

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

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

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

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

por Draksharapu, Apparao, Angelone, Davide, Quesne, Matthew G, Padamati, Sandeep K, Gómez, Laura, Hage, Ronald, Costas, Miquel, Browne, Wesley R, de Visser, Sam P
Publicado 2015

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

por Draksharapu, Apparao, Angelone, Davide, Quesne, Matthew G., Padamati, Sandeep K., Gómez, Laura, Hage, Ronald, Costas, Miquel, Browne, Wesley R., de Visser, Sam P.
Publicado 2015

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

por Greer, Adam J., Taylor, S. F. Rebecca, Daly, Helen, Quesne, Matthew G., de Leeuw, Nora H., Catlow, C. Richard A., Jacquemin, Johan, Hardacre, Christopher
Publicado 2021

Mixing thermodynamics and electronic structure of the Pt(1−x)Ni(x) (0 ≤ x ≤ 1) bimetallic alloy

por Botha, Louise M., Santos-Carballal, David, Terranova, Umberto, Quesne, Matthew G., Ungerer, Marietjie J., van Sittert, Cornelia G. C. E., de Leeuw, Nora H.
Publicado 2019

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

por 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.
Publicado 2014

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

por 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.
Publicado 2014

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

por 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
Publicado 2014

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

por 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.
Publicado 2021

Interfacial Chemistry in the Electrocatalytic Hydrogenation of CO(2) over C-Supported Cu-Based Systems

por Gianolio, Diego, Higham, Michael D., Quesne, Matthew G., Aramini, Matteo, Xu, Ruoyu, Large, Alex I., Held, Georg, Velasco-Vélez, Juan-Jesús, Haevecker, Michael, Knop-Gericke, Axel, Genovese, Chiara, Ampelli, Claudio, Schuster, Manfred Erwin, Perathoner, Siglinda, Centi, Gabriele, Catlow, C. Richard A., Arrigo, Rosa
Publicado 2023