Fabien Cailliez - Publications, H-index & Citations

Fabien Cailliez

université paris saclay and cnrs

19H指数

48论文数

1.3K被引数

收录论文 22

发表时间

Computational Study of Heme b595 to Heme d Electron Transfer in E. coli Cytochrome bd-I Oxidase

Journal of Chemical Information and Modeling

IF5.3

2026-01-22

PREAI

Raaif Siddeeque; Baptiste Etcheverry; Côme Cattin; Jean Deviers; Frédéric Melin; Petra Hellwig; Fabien Cailliez; Aurélien de la Lande

NOX Transmembrane Electron Transfer Is Governed by a Subtly Balanced; Self-Adjusting Charge Distribution NOX跨膜电子转移受微妙平衡且自调节电荷分布的调控。

Journal of Chemical Information and Modeling

IF5.3

2025-08-01

OAAI

Baptiste Etcheverry; Marc Baaden; Aurélien de la Lande; Fabien Cailliez

Use of Gaussian-Type Functions for Describing Fast Ion-Matter Irradiation with Time-Dependent Density Functional Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-10-24

OAAI

Tandiana, Rika; Omar, Karwan Ali; Luppi, Eleonora; Cailliez, Fabien; Van-Oanh Nguyen-Thi; Clavaguera, Carine; de la Lande, Aurelien

Anisotropic magnetic field effects in the re-oxidation of cryptochrome in the presence of scavenger radicals

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-01-10

OAAI

Deviers, Jean; Cailliez, Fabien; de la Lande, Aurelien; Kattnig, Daniel R.

Mechanistic Insights on Heme-to-Heme Transmembrane Electron Transfer Within NADPH Oxydases From Atomistic Simulations

FRONTIERS IN CHEMISTRY

IF4.2

2021-05-04

OAAI

Wu, Xiaojing; Henin, Jerome; Baciou, Laura; Baaden, Marc; Cailliez, Fabien; de la Lande, Aurelien

Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review in-deMon2k QM/MM的分子模拟，教程-评论

MOLECULES

IF4.6

2019-04-26

OAAI

de la Lande, Aurelien; Alvarez-Ibarra, Aurelio; Hasnaoui, Karim; Cailliez, Fabien; Wu, Xiaojing; Mineva, Tzonka; Cuny, Jerome; Calaminici, Patrizia; Lopez-Sosa, Luis; Geudtner, Gerald; Navizet, Isabelle; Iriepa, Cristina Garcia; Salahub, Dennis R.; Koster, Andreas M.

Simulating Electron Dynamics in Polarizable Environments

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-08-17

PREAI

Wu, Xiaojing; Teuler, Jean-Marie; Cailliez, Fabien; Clavaguera, Carine; Salahub, Dennis R.; de la Lande, Aurelien

A critical review of statistical calibration/prediction models handling data inconsistency and model inadequacy

AICHE JOURNAL

IF4

2017-05-26

OAAI

Pernot, Pascal; Cailliez, Fabien

Energetics of Photoinduced Charge Migration within the Tryptophan Tetrad of an Animal (6-4) Photolyase

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2016-02-02

PREAI

Cailliez, Fabien; Mueller, Pavel; Firmino, Thiago; Pernot, Pascal; de la Lande, Aurelien

QM/MM Calculations with deMon2k

MOLECULES

IF4.6

2015-03-16

OAAI

Salahub, Dennis R.; Noskov, Sergei Yu.; Lev, Bogdan; Zhang, Rui; Ngo, Van; Goursot, Annick; Calaminici, Patrizia; Koester, Andreas M.; Alvarez-Ibarra, Aurelio; Mejia-Rodriguez, Daniel; Rezac, Jan; Cailliez, Fabien; de la Lande, Aurelien

Electron Transfer, Decoherence, and Protein Dynamics: Insights from Atomistic Simulations

ACCOUNTS OF CHEMICAL RESEARCH

IF17.7

2015-03-02

PREAI

Narth, Christophe; Gillet, Natacha; Cailliez, Fabien; Levy, Bernard; de la Lande, Aurelien

Molecular simulation of the thermodynamics, structural and transport properties of the liquid binary mixture methane plus nitrogen

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2014-12-01

OAAI

Betaouaf, F.; Cailliez, F.; Rousseau, B.; Ould-Kaddour, F.