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Natacha Gillet

8
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

elise-dumont
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A new G-quadruplex-specific photosensitizer inducing genome instability in cancer cells by triggering oxidative DNA damage and impeding replication fork progression

Marco Deiana , José María Andrés Castán , Pierre Josse , Abraha Kahsay , Darío Puchán Sánchez
Nucleic Acids Research, 2023, 51 (12), pp.6264-6285. ⟨10.1093/nar/gkad365⟩
Article dans une revue hal-04247125v1
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Assessing the sequence dependence of pyrimidine–pyrimidone (6–4) photoproduct in a duplex double-stranded DNA: A pitfall for microsecond range simulation

Natacha Gillet , Alessio Bartocci , Elise Dumont
Journal of Chemical Physics, 2021, 154 (13), pp.135103. ⟨10.1063/5.0041332⟩
Article dans une revue hal-03423537v1
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A Dynamic View of the Interaction of Histone Tails with Clustered Abasic Sites in a Nucleosome Core Particle

Emmanuelle Bignon , Natacha Gillet , Tao Jiang , Christophe Morell , Elise Dumont
Journal of Physical Chemistry Letters, 2021, 12 (25), pp.6014-6019. ⟨10.1021/acs.jpclett.1c01058⟩
Article dans une revue hal-03279410v1
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Recognition of a tandem lesion by DNA bacterial formamidopyrimidine glycosylases explored combining molecular dynamics and machine learning

Emmanuelle Bignon , Natacha Gillet , Chen-Hui Chan , Tao Jiang , Antonio Monari
Computational 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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Molecular Dynamics Approach for Capturing Calixarenes-Proteins Interactions: The Case of Cytochrome C

Alessio Bartocci , Natacha Gillet , Tao Jiang , Florence Szczepaniak , Elise Dumont
Journal of Physical Chemistry B, 2020, 124 (50), pp.11371-11378. ⟨10.1021/acs.jpcb.0c08482⟩
Article dans une revue hal-03424089v1
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Impact of the Nucleosome Histone Core on the Structure and Dynamics of DNA-Containing Pyrimidine–Pyrimidone (6–4) Photoproduct

Eva Matoušková , Emmanuelle Bignon , Victor Claerbout , Tomáš Dršata , Natacha Gillet
Journal 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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Nucleosomal embedding reshapes the dynamics of abasic sites

Emmanuelle Bignon , Victor Claerbout , Tao Jiang , Christophe Morell , Natacha Gillet
Scientific Reports, 2020, 10 (1), pp.17314. ⟨10.1038/s41598-020-73997-y⟩
Article dans une revue hal-03157466v1
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DNA Photodamage and Repair: Computational Photobiology in Action

Antonio Francés-Monerris , Natacha Gillet , Elise Dumont , Antonio Monari
QM/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