Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs
Quesne, Matthew G., Borowski, Tomasz, de Visser, Sam P.
Published in Chemistry : a European journal (18.02.2016)
Published in Chemistry : a European journal (18.02.2016)
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Journal Article
Origin of the Regioselective Fatty-Acid Hydroxylation versus Decarboxylation by a Cytochrome P450 Peroxygenase: What Drives the Reaction to Biofuel Production?
Faponle, Abayomi S., Quesne, Matthew G., de Visser, Sam P.
Published in Chemistry : a European journal (11.04.2016)
Published in Chemistry : a European journal (11.04.2016)
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Journal Article
Coherent Excited States in Superconductors due to a Microwave Field
Semenov, A V, Devyatov, I A, de Visser, P J, Klapwijk, T M
Published in Physical review letters (22.07.2016)
Published in Physical review letters (22.07.2016)
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Functional-structural plant modelling: a new versatile tool in crop science
Vos, J, Evers, J.B, Buck-Sorlin, G.H, Andrieu, B, Chelle, M, de Visser, P.H.B
Published in Journal of experimental botany (01.05.2010)
Published in Journal of experimental botany (01.05.2010)
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Deformylation Reaction by a Nonheme Manganese(III)-Peroxo Complex via Initial Hydrogen-Atom Abstraction
Barman, Prasenjit, Upadhyay, Pranav, Faponle, Abayomi S., Kumar, Jitendra, Nag, Sayanta Sekhar, Kumar, Devesh, Sastri, Chivukula V., de Visser, Sam P.
Published in Angewandte Chemie (International ed.) (05.09.2016)
Published in Angewandte Chemie (International ed.) (05.09.2016)
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Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes
Shaik, Sason, Kumar, Devesh, de Visser, Samuël P, Altun, Ahmet, Thiel, Walter
Published in Chemical reviews (01.06.2005)
Published in Chemical reviews (01.06.2005)
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Reactivity Patterns of (Protonated) Compound II and Compound I of Cytochrome P450: Which is the Better Oxidant?
Li, Xiao‐Xi, Postils, Verònica, Sun, Wei, Faponle, Abayomi S., Solà, Miquel, Wang, Yong, Nam, Wonwoo, de Visser, Sam P.
Published in Chemistry : a European journal (05.05.2017)
Published in Chemistry : a European journal (05.05.2017)
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A Non-Heme Diiron Complex for (Electro)catalytic Reduction of Dioxygen: Tuning the Selectivity through Electron Delivery
Wang, Lianke, Gennari, Marcello, Cantú Reinhard, Fabián G, Gutiérrez, Javier, Morozan, Adina, Philouze, Christian, Demeshko, Serhiy, Artero, Vincent, Meyer, Franc, de Visser, Sam P, Duboc, Carole
Published in Journal of the American Chemical Society (22.05.2019)
Published in Journal of the American Chemical Society (22.05.2019)
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Quantum Mechanics/Molecular Mechanics Study on the Oxygen Binding and Substrate Hydroxylation Step in AlkB Repair Enzymes
Quesne, Matthew G., Latifi, Reza, Gonzalez-Ovalle, Luis E., Kumar, Devesh, de Visser, Sam P.
Published in Chemistry : a European journal (07.01.2014)
Published in Chemistry : a European journal (07.01.2014)
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Journal Article
Comparison of the Reactivity of Nonheme Iron(IV)-Oxo versus Iron(IV)-Imido Complexes: Which is the Better Oxidant?
Vardhaman, Anil Kumar, Barman, Prasenjit, Kumar, Suresh, Sastri, Chivukula V., Kumar, Devesh, de Visser, Sam P.
Published in Angewandte Chemie (International ed.) (18.11.2013)
Published in Angewandte Chemie (International ed.) (18.11.2013)
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Does Hydrogen-Bonding Donation to Manganese(IV)-Oxo and Iron(IV)-Oxo Oxidants Affect the Oxygen-Atom Transfer Ability? A Computational Study
Latifi, Reza, Sainna, Mala A., Rybak-Akimova, Elena V., de Visser, Sam P.
Published in Chemistry : a European journal (18.03.2013)
Published in Chemistry : a European journal (18.03.2013)
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Journal Article
Solvent‐ and Halide‐Induced (Inter)conversion between Iron(II)‐Disulfide and Iron(III)‐Thiolate Complexes
Wang, Lianke, Cantú Reinhard, Fabián G., Philouze, Christian, Demeshko, Serhiy, de Visser, Sam P., Meyer, Franc, Gennari, Marcello, Duboc, Carole
Published in Chemistry : a European journal (14.08.2018)
Published in Chemistry : a European journal (14.08.2018)
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