Institut de Chimie Physique

Nos tutelles

	Fabien CAILLIEZ Enseignant-chercheur Groupe TheoSim
Contact	Tél. : +33 (0)1 69 15 32 49 Fax : +33 (0)1 69 15 61 88 Courriel : fabien.cailliez@universite-paris-saclay.fr
Localisation	Bât 349
Informations complémentaires	Page Personnelle 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)