Gillet Natacha
Gillet Natacha
CR CNRS Laboratoire de Chimie ENS Lyon
Email verificata su ens-lyon.fr
TitoloCitata daAnno
Coupling quantum interpretative techniques: another look at chemical mechanisms in organic reactions
N Gillet, R Chaudret, J Contreras-Garcı́a, W Yang, B Silvi, JP Piquemal
Journal of chemical theory and computation 8 (11), 3993-3997, 2012
802012
Electronic coupling calculations for bridge-mediated charge transfer using constrained density functional theory (CDFT) and effective hamiltonian approaches at the densityá…
N Gillet, L Berstis, X Wu, F Gajdos, A Heck, A de la Lande, J Blumberger, ...
Journal of chemical theory and computation 12 (10), 4793-4805, 2016
262016
Electron transfer, decoherence, and protein dynamics: insights from atomistic simulations
C Narth, N Gillet, F Cailliez, B Lévy, A de la Lande
Accounts of chemical research 48 (4), 1090-1097, 2015
212015
Entasis through Hook-and-Loop Fastening in a Glycoligand with Cumulative Weak Forces Stabilizing CuI
L Garcia, F Cisnetti, N Gillet, R Guillot, M Aumont-Nicaise, JP Piquemal, ...
Journal of the American Chemical Society 137 (3), 1141-1146, 2015
212015
Progress and challenges in simulating and understanding electron transfer in proteins
A de La Lande, N Gillet, S Chen, DR Salahub
Archives of biochemistry and biophysics 582, 28-41, 2015
192015
Investigation of the molecular mechanisms of electronic decoherence within a quinone cofactor
C Narth, N Gillet, B LÚvy, I Demachy, A de la Lande
Canadian Journal of Chemistry 91 (7), 628-636, 2013
92013
Functional role of an unusual tyrosine residue in the electron transfer chain of a prokaryotic (6–4) photolyase
D Holub, H Ma, N Krau▀, T Lamparter, M Elstner, N Gillet
Chemical science 9 (5), 1259-1272, 2018
82018
QM/MM study of l-lactate oxidation by flavocytochrome b 2
N Gillet, JJ Ruiz-PernÝa, A de la Lande, B LÚvy, F Lederer, I Demachy, ...
Physical Chemistry Chemical Physics 18 (23), 15609-15618, 2016
82016
Electron and Hydrogen Atom Transfers in the Hydride Carrier Protein EmoB
N Gillet, B Levy, V Moliner, I Demachy, A de la Lande
Journal of chemical theory and computation 10 (11), 5036-5046, 2014
82014
Coupled-perturbed DFTB-QM/MM metadynamics: Application to proton-coupled electron transfer
N Gillet, M Elstner, T Kubař
The Journal of chemical physics 149 (7), 072328, 2018
42018
Two aspartate residues close to the lesion binding site of Agrobacterium (6‐4) photolyase are required for Mg2+ stimulation of DNA repair
H Ma, D Holub, N Gillet, G Kaeser, K Thoulass, M Elstner, N Krau▀, ...
The FEBS journal 286 (9), 1765-1779, 2019
32019
Theoretical estimation of redox potential of biological quinone cofactors
N Gillet, B LÚvy, V Moliner, I Demachy, A de la Lande
Journal of computational chemistry 38 (18), 1612-1621, 2017
22017
Biological relevance of charge transfer branching pathways in photolyases
D Holub, T Lamparter, M Elstner, N Gillet
Physical Chemistry Chemical Physics 21 (31), 17072-17081, 2019
12019
What accounts for the different functions in photolyases and cryptochromes: a computational study of proton transfers to FAD
D Holub, T Kubař, T Mast, M Elstner, N Gillet
Physical Chemistry Chemical Physics 21 (22), 11956-11966, 2019
12019
How Mg2+ stimulates DNA repair in prokaryotic (6-4) photolyases
H Ma, D Holub, N Gillet, G Kaeser, K Thoulass, M Elstner, N Krau▀, ...
BioRxiv, 366252, 2018
12018
What Accounts for the Different Function in Photolyases and Cryptochromes: A Computational Study of Critical Events in the Protein Active Site
D Holub, T Mast, T Kubař, M Elstner, N Gillet
ChemRxiv, 2019
2019
Charge transfer in photolyases
D Holub, N Gillet, T Kubar, M Elstner
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S217-S217, 2017
2017
Research Experience
N GILLET
Positions, 2016
2016
Simulations NumÚriques de Transferts InterdÚpendants d’Electrons et de Protons dans les ProtÚines
N Gillet
2014
Il sistema al momento non pu˛ eseguire l'operazione. Riprova pi¨ tardi.
Articoli 1–19