Natacha Gillet
Présentation
Publications
Publications
Mechanism of Proton-Coupled Electron Transfer in Biomimetic Peptides2nd SIMPLAIX workshop on Machine Learning for Multiscale Molecular Modeling, May 2024, Heidelberg, Germany |
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Proton-Coupled Electron Transfer in Biomimetic PeptidesSymposium on Theoretical Chemistry, Sep 2024, Braunschweig, Germany |
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Mechanism of Proton-Coupled Electron Transfer in Biomimetic PeptidesNIC Days: Biomolecular Evolution, Function, and Assembly - Theory Meets Experiment,, Apr 2024, Jülich, Germany |
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Multiscale simulations of radical cation guanine in the nucleosomal DNAFrench Graphical and Molecular Modelling Group (GGMM) 2023 Young Modellers Conference. (https://ggmm2023.sciencesconf.org/)., Jun 2023, Toulouse, France |
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CP-DFTB/MM simulations of tyrosine-tyrosine PCET in RNR-inspired model systemsGGMM 2023 – Young Modellers Conference, May 2023, Toulouse, France |
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CP-DFTB/MM simulations of tyrosine-tyrosine PCET in RNR-inspired model systems5th Manchester Multiscale Conference, Apr 2023, Manchester, United Kingdom |
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Multiscale simulations of radical cation guanine in the nucleosomal DNAInternational Society of Quantum Biology and Pharmacology (ISQBP) 2022 President’s Meeting (https://isqbp2022.org/), Jul 2022, Innsbruck, Austria |
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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⟩ |
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Structure, dynamics, and processing of 8oxoG:A in the nucleosome2025 |
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Simulations Numériques de Transferts Interdépendants d’Electrons et de Protons dans les ProtéinesChimie-Physique [physics.chem-ph]. Université Paris Sud - Paris XI; Universitat Jaume I (Castellón de la Plana, Espagne), 2014. Français. ⟨NNT : 2014PA112159⟩ |
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Towards a better understanding of the relationships between biomolecules interactions and their chemical properties via multiscale numerical simulationsTheoretical and/or physical chemistry. École Normale Supérieure de Lyon, 2024 |