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Natacha Gillet
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Documents
Présentation
Interested by proteins for a long time, I have focused my research since my PhD on biological processes involving charge transfers using QM/MM simulations. I worked in the "charge transfer" team in the group of Pr. M. Elstner. We studied proteins systems such as photolyase/cryptochrome, ribonucleotide reductase, azurins... After a short stay in the group of Pr. A. Dejeagere and R. Stote, with a project about nuclear receptors, I joined the laboratoire de chimie de l'ENS Lyon as a CNRS resercher to work on charge transfer in several DNA structures using MM and QM/MM approaches.
Publications
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Recognition of a tandem lesion by DNA bacterial formamidopyrimidine glycosylases explored combining molecular dynamics and machine learningComputational and Structural Biotechnology Journal, 2021, 19, pp.2861-2869. ⟨10.1016/j.csbj.2021.04.055⟩
Article dans une revue
hal-03326585v1
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Impact of the Nucleosome Histone Core on the Structure and Dynamics of DNA-Containing Pyrimidine–Pyrimidone (6–4) PhotoproductJournal of Chemical Theory and Computation, 2020, 16 (9), pp.5972-5981. ⟨10.1021/acs.jctc.0c00593⟩
Article dans une revue
hal-03157488v1
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DNA Photodamage and Repair: Computational Photobiology in ActionQM/MM Studies of Light-responsive Biological Systems, 31, Springer International Publishing, pp.293-332, 2020, Challenges and Advances in Computational Chemistry and Physics, ⟨10.1007/978-3-030-57721-6_7⟩
Chapitre d'ouvrage
hal-03424121v1
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