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Elise Dumont
129
Documents
Identifiants chercheurs
elise-dumont- ResearcherId : A-9711-2010
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0000-0002-2359-111X
- Google Scholar : https://scholar.google.fr/citations?user=7lKE7PwAAAAJ
- IdRef : 108930793
Présentation
I am an expert in Computational Chemistry and Biochemistry, using methods ranging from quantum mechanics (mainly DFT) to classical mechanics. I also combine them using multiscale QM/MM approaches. My simulations notably serve as a computational microscope to propose photo- and oxidatively-induced mechanistic pathways causing DNA lesions/damage. I also became interested in predicting the structure of damaged oligonucleotides, which are extremely challenging to obtain by NMR or X-ray. More recently, I also became interested in supramolecular chemistry targetting biomolecules, where my simulations probe structures and free energies
**Career**
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\- 2019-2024 : IUF Junior member (Institut Universitaire de France)
\- 2017... : Full Professor, Laboratoire de Chimie, ENS de Lyon
\- 2008-2017: Assistant Professor (*Maitre de conférences*), Laboratoire de Chimie, ENS de Lyon
\- 2007-2008: Lecturer (*ATER*), Université Nancy I, Laboratoire SRSMC
\- 2006-2007: Postdoctoral fellow, P. Gill's research group, Australian National Academy of Sciences
\- 2003-2006: PhD studies, University Paris 6
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Electron-Triggered Metamorphism Applied to Spin-State Switching73rd Annual Meeting of the International Society of Electrochemistry, Sep 2022, Online Meeting, China
Communication dans un congrès
hal-03870627v1
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Electron-Triggered Spin State Switching in a Viologen-Substituted Nickel PorphyrinInternational Conference on Porphyrins and Phthalocyanines (ICPP), Jul 2022, Madrid, Spain
Communication dans un congrès
hal-03870587v1
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Electron-Triggered Metamorphism in Metal-Organic Architectures : From Responsive Self-Assembled Materials to Spin-State Switchingjournées scientifiques de l’Association Française de Magnétisme Moléculaire JAM2 2022, Nov 2022, Dourdan, France
Communication dans un congrès
hal-03870642v1
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Photoinduced Electron Transfer as a Trigger for Molecular and Supramolecular Metamorphism6th International Workshops on Nano and Bio-Photonics (IWNBP), Sep 2022, Evian, France
Communication dans un congrès
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Towards Electron-triggered Coordination-induced Spin State Switching in Viologen-based Metal ComplexesJournée du Groupement d'Etude en Recherche PhotoElectroStimulation, Oct 2021, Paris-Saclay, France
Communication dans un congrès
hal-03441946v1
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Viologen π-Dimerization as a Trigger for Metamorphism in Supramolecular Stimuli-Responsive MaterialsThe 6th Edition of the Smart Materials and Surfaces - SMS 2021 Conference, Oct 2021, Milan, Italy
Communication dans un congrès
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Coordination-induced Spin State Switching in Redox-responsive Viologen-based Metalloporphyrinsjournée Scientifiques du GDR MAPYRO (Macrocycles Pyrroliques), May 2021, web meeting, France
Communication dans un congrès
hal-03435816v1
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Towards Electron-triggered Coordination-induced Spin State Switching in Viologen-based Metal ComplexesGecom-Concoord Webinaire, Jul 2021, Webinaire, France
Communication dans un congrès
hal-03441972v1
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Electron-Triggered Metamorphism in Adaptative Supramolecular PolymersCurrent Trends in Electrochemistry; First French-Spanish Worshop on Electrochemistry-, Jun 2021, Paris, France
Communication dans un congrès
hal-03435811v1
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Towards Electron-triggered Coordination-induced Spin State Switching in Viologen-based Metal ComplexesJournée Webinaire de la section Rhône-Alpes de la Société Chimique de France, Jan 2021, Webinaire, France
Communication dans un congrès
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Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Supramolecular Polymers239th ECS Meeting, May 2021, Chicago, France
Communication dans un congrès
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Stimuli-Responsive Supramolecular Assembly Involving Cucurbit[8]uril and Porphyrin-based TectonsIIèmes Journées annuelles du GDR Photo & Electro Stimulation, Jan 2020, Angers, France
Communication dans un congrès
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Structure and reactivity of complex DNA lesions: clustered abasic sites as a case study21e congrès du GGMM, Apr 2019, Nice, France
Communication dans un congrès
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Mapping DNA lesions in and out the nucleosome: insights from molecular dynamics simulations3rd Workshop on DNA Damage and Repair (DNADNR): Chemistry, Biology, and Medicine, Sep 2019, Valencia, Spain
Communication dans un congrès
hal-02308329v1
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Computational insights into DNA lesions: sequence effects in and out of the nucleosomeNetwork analysis to elucidate natural system dynamics, diversity and performance - CECAM workshop, May 2019, Lyon, France
Communication dans un congrès
hal-02308301v1
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Molecular dynamics insights for DNA lesions in oligonucleotides and nucleosomal DNAHuitième réunion annuelle du GdR Architecture et Dynamique Nucléaires (ADN), Mar 2019, Lyon, France
Communication dans un congrès
hal-02124544v1
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Dynamic Molecular Metamorphism involving Palladium-Assisted Dimerization of π-Cation RadicalsGECOM CONCOORD 2019, May 2019, Erquy, France
Communication dans un congrès
hal-03033484v1
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Photo/Redox Control of π-Dimerization as a Trigger for Molecular and Supramolecular MetamorphismNanoSynergetics Workshop - 9th International Symposium On Photochromism (ISOP), Sep 2019, Paris, France
Communication dans un congrès
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Theoretical Study of Hydrated Gold Nanoparticles for Radiotherapy ApplicationsColloque du GDR SOLVATE, Feb 2019, Lyon, France
Communication dans un congrès
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QM/MM investigations of DNA lesions: what can we learn so far ?19th deMon developers workshop, May 2019, Fréjus, France
Communication dans un congrès
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Mapping DNA-Photosensitizers Interaction In and Out the NucleosomeMolecular and materials simulation at the turn of the decade: celebrating 50 years of CECAM, Sep 2019, Lausanne, Switzerland
Communication dans un congrès
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Probing the mechanistic pathways and structural aftermaths of complex DNA lesionsBIO2018 Congress and 51st Meeting of the Polish Biochemical Society, Sep 2018, Gdansk, Poland
Communication dans un congrès
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Dynamique des lésions de l'ADNXVIèmes Rencontres des Chimistes Théoriciens Francophones, Oct 2018, Toulouse, France
Communication dans un congrès
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Theoretical Study of Hydrated Gold Nanoparticles for Radiotherapy ApplicationsColloque du GDR NanOperando, Nov 2018, Lyon, France
Communication dans un congrès
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Theoretical Study of Hydrated Gold Nanoparticles for Radiotherapy ApplicationsDocScilor, Jun 2017, Nancy,, France
Communication dans un congrès
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Molecular dynamics investigation of DNA tandem lesions repairFemEx 2017, Jun 2017, Putten, Netherlands
Communication dans un congrès
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Modélisation de structures d'ADN endommagé : un microscope computationnelForum de la recherche en cancérologie Rhône-Alpes Auvergne, Mar 2016, Lyon, France
Communication dans un congrès
hal-01297487v1
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Modelling the structure and triplet-triplet energy transfer of the 6-4 photoproductJoint Congress of the French and Italian Photochemists and Photobiologists 2016, Sep 2016, Bari, Italy
Communication dans un congrès
hal-01488339v1
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Probing the reactivity underpinning DNA lesions by multiscale simulations14th International Workshop on Radiation Damage to DNA, Mar 2016, Melbourne, Australia
Communication dans un congrès
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MODELLING THE INTERSTRAND CROSS-LINKS IMPACT ON DNA STRUCTURE14th International Workshop on Radiation Damage to DNA, Mar 2016, Melbourne, Australia
Communication dans un congrès
hal-01490046v1
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Abasic Sites Impact on DNA Structure and Interstrand Cross-Links Generation ModellingCOST Action CM1201 : Biomimetic Radical Chemistry & ClicGene , Mar 2016, Grenoble, France
Communication dans un congrès
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Multi-scale simulations of complex oxidatively-generated DNA lesions: reactivity and structure.9th Congress on Electronic Structure: Principles and Applications (ESPA), Jul 2014, Badajoz, Spain
Communication dans un congrès
hal-02061507v1
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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
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Encoding stereochemical molecular information on cyclophanes using non-directional interactions and achiral building blocks2021
Pré-publication, Document de travail
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