Yohann Moreau

发表

Quantum mechanical/molecular mechanical study of mechanisms of heme degradation by the enzyme heme oxygenase: the strategic function of the water cluster.

S. Shaik, Hui Chen, E. Derat, 2008, Journal of the American Chemical Society.

Probing the reactivity of singlet oxygen with purines

J. Ravanat, E. Bignon, É. Dumont, 2015, Nucleic acids research.

Formation of the active species of cytochrome p450 by using iodosylbenzene: a case for spin-selective reactivity.

Jeffrey P. Jones, S. Shaik, D. Rock, 2007, Chemistry.

A fragment-based drug discovery strategy applied to the identification of NDM-1 β-lactamase inhibitors.

I. Krimm, J. Docquier, Marine Peuchmaur, 2022, European journal of medicinal chemistry.

NR transfer reactivity of azo-compound I of P450. How does the nitrogen substituent tune the reactivity of the species toward C-H and C=C activation?

S. Shaik, C. Bolm, Hui Chen, 2007, The journal of physical chemistry. B.

Unsymmetrical binding modes of the HOPNO inhibitor of tyrosinase: from model complexes to the enzyme.

P. Carrupt, L. Bubacco, B. Baptiste, 2013, Chemistry.

Conformational H-bonding modulation of the iron active site cysteine ligand of superoxide reductase: absorption and resonance Raman studies.

S. Torelli, A. Desbois, V. Nivière, 2021, Physical chemistry chemical physics : PCCP.

Hydrogen bonding to the cysteine ligand of superoxide reductase: acid–base control of the reaction intermediates

V. Favaudon, G. Blondin, C. Berthomieu, 2013, JBIC Journal of Biological Inorganic Chemistry.

New Acridine-Based Tridentate Ligand for Ruthenium(II): Coordination with a Twist.

C. Philouze, F. Loiseau, A. Awada, 2018, Inorganic chemistry.

Ligand-Promoted Surface Solubilization of TiO2 Nanoparticles by the Enterobactin Siderophore in Biological Medium

N. Herlin‐Boime, M. Chevallet, C. Lebrun, 2022, Biomolecules.

Redox Behavior of the S-Adenosylmethionine (SAM)-Binding Fe-S Cluster in Methylthiotransferase RimO, toward Understanding Dual SAM Activity.

F. Forouhar, J. Ravanat, M. Atta, 2016, Biochemistry.

4-Hydroxyphenylpyruvate Dioxygenase Catalysis

R. Dumas, M. Matringe, B. Lefebvre, 2011, The Journal of Biological Chemistry.

C3S Energy: an operational service to deliver power demand and supply for different electricity sources, time and spatial scales over Europe

C. Goodess, A. Troccoli, L. Dubus, 2021 .

On the suitability of strictly localized orbitals for hybrid QM/MM calculations

Maurizio Sironi, Arianna Fornili, Yohann Moreau, 2006, J. Comput. Chem..

Iron Hydroperoxide Intermediate in Superoxide Reductase: Protonation or Dissociation First? MM Dynamics and QM/MM Metadynamics Study.

A. Milet, V. Nivière, Yohann Moreau, 2017, Journal of chemical theory and computation.

A Mechanistic Rationale Approach Revealed the Unexpected Chemoselectivity of an Artificial Ru-Dependent Oxidase: A Dual Experimental/Theoretical Approach

Caroline Marchi-Delapierre, N. Burzlaff, S. Ménage, 2020, ACS Catalysis.

Control of the evolution of iron peroxide intermediate in superoxide reductase from Desulfoarculus baarsii. Involvement of lysine 48 in protonation.

V. Favaudon, S. Duval, S. Ménage, 2012, Journal of the American Chemical Society.

Hydrogen bonding to the cysteine ligand of superoxide reductase: acid–base control of the reaction intermediates

V. Favaudon, G. Blondin, C. Berthomieu, 2013, JBIC Journal of Biological Inorganic Chemistry.