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Fabien CAILLIEZ

Enseignant-chercheur
Groupe TheoSim
ContactTél. : +33 (0)1 69 15 32 49
Fax : +33 (0)1 69 15 61 88
Courriel : fabien.cailliez@universite-paris-saclay.fr
LocalisationBât 349
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Travaux et publications



Publications récentes
Mechanistic Insights on Heme-to-Heme Transmembrane Electron Transfer Within NADPH Oxydases From Atomistic Simulations.
Wu, X.; Hénin, J.; Baciou,L.; Baaden, M.; Cailliez, F.; de la Lande, A.
Frontiers in Chemistry 9:650651 (2021)  
A critical review of statistical calibration/prediction models handling data inconsistency and model inadequacy.
Pernot, P.; Cailliez, F.
AIChE J. 63:4642–4665 (2017)  
Simulating Electron Dynamics in Polarizable Environments.
Wu, Xiaojing Wu; Teuler, Jean-Marie; Cailliez, Fabien; Clavaguéra, Carine; Salahub, Dennis R.; de la Lande, Aurélien
J. Chem. Theory Comput. 13:3985−4002 (2017)  
Energetics of photoinduced charge migration within the tryptophan tetrad of an animal (6-4) photolyase.
Cailliez, Fabien; Müller, Pavel; Firmino, Thiago; Pernot, Pascal; de la Lande, Aurélien
J. Am. Chem. Soc. 138:1904−1915 (2016)  
Quantum effects in ultrafast electron transfers within cryptochromes.
Firmino, Thiago; Mangaud, Etienne; Cailliez, Fabien; Devolder, Adrien; Mendive-Tapia, David; Gatti, Fabien; Desouter-Lecomte, Michèle; de la Lande, Aurélien
Phys. Chem. Chem. Phys. 18:21442−21457 (2016)