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76

CV - Elise Dumont


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

- 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 


Journal articles64 documents

  • Chen-Hui Chan, Floriane Poignant, Michael Beuve, Elise Dumont, David Loffreda. A Water Solvation Shell Can Transform Gold Metastable Nanoparticles in the Fluxional Regime. Journal of Physical Chemistry Letters, American Chemical Society, 2019, 10, pp.1092-1098. ⟨10.1021/acs.jpclett.8b03822⟩. ⟨hal-02057656⟩
  • Shagor Chowdhury, Youssef Nassar, Laure Guy, Denis Frath, Floris Chevallier, et al.. Photo/Redox-Responsive 2D-Supramolecular Assembly Involving Cucurbit[8]uril and a Star-Shaped Porphyrin Tecton. Electrochimica Acta, Elsevier, 2019, 316, pp.79-92. ⟨10.1016/j.electacta.2019.05.077⟩. ⟨hal-02146626⟩
  • Christophe Kahlfuss, Raymond Grüber, Elise Dumont, Guy Royal, Floris Chevallier, et al.. Dynamic Molecular Metamorphism Involving Palladium-Assisted Dimerization of π-Cation Radicals. Chemistry - A European Journal, Wiley-VCH Verlag, 2019, 25 (6), pp.1573-1580. ⟨10.1002/chem.201805017⟩. ⟨hal-02102401⟩
  • Antonio Francés-Monerris, Hugo Gattuso, Daniel Roca-Sanjuán, Iñaki Tuñón, Marco Marazzi, et al.. Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA. Chemical Science , The Royal Society of Chemistry, 2018, 9 (41), pp.7902-7911. ⟨10.1039/c8sc03252a⟩. ⟨hal-01981143⟩
  • Emeric Jeamet, Jean Septavaux, Alexandre Héloin, Marion Donnier-Marechal, Melissa Dumartin, et al.. Wetting the lock and key enthalpically favours polyelectrolyte binding. Chemical Science , The Royal Society of Chemistry, 2018, 10, pp.277-283. ⟨10.1039/C8SC02966K⟩. ⟨hal-01917669⟩
  • Hong Zhang, Hugo Gattuso, Elise Dumont, Wensheng Cai, Antonio Monari, et al.. Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA. Molecules, MDPI, 2018, 23 (2), pp.228. ⟨10.3390/molecules23020228⟩. ⟨hal-02184614⟩
  • Elena Zvereva, Javier Segarra-Martí, Marco Marazzi, Johanna Brazard, Artur Nenov, et al.. The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone. Photochemical & Photobiological Sciences , Royal Society of Chemistry, 2018, 17 (3), pp.323-331. ⟨10.1039/C7PP00439G⟩. ⟨hal-02184642⟩
  • Sylvain Engilberge, François Riobé, Tristan Wagner, Sebastiano Di Pietro, Cécile Breyton, et al.. Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography. Chemistry - A European Journal, Wiley-VCH Verlag, 2018, 24 (39), pp.9739-9746. ⟨10.1002/chem.201802172⟩. ⟨hal-01823476⟩
  • Javier Segarra-Martí, Elena Zvereva, Marco Marazzi, Johanna Brazard, Elise Dumont, et al.. Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy. Journal of Chemical Theory and Computation, American Chemical Society, 2018, 14 (5), pp.2570 - 2585. ⟨10.1021/acs.jctc.7b01208⟩. ⟨hal-01889513⟩
  • Marion Donnier-Marechal, Jean Septavaux, Emeric Jeamet, Alexandre Héloin, Florent Perret, et al.. Diastereoselective Synthesis of a Dyn[3]arene with Distinct Binding Behaviors toward Linear Biogenic Polyamines. Organic Letters, American Chemical Society, 2018, 20 (8), pp.2420 - 2423. ⟨10.1021/acs.orglett.8b00766⟩. ⟨hal-01889566⟩
  • François Dehez, Hugo Gattuso, Emmanuelle Bignon, Christophe Morell, Elise Dumont, et al.. Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates. Nucleic Acids Research, Oxford University Press, 2017, 45 (7), pp.3654-3662. ⟨10.1093/nar/gkx148⟩. ⟨hal-02184844⟩
  • François Dehez, Hugo Gattuso, Emmanuelle Bignon, Christophe Morell, Claire Bordes, et al.. Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates. Nucleic Acids Research, Oxford University Press, 2017, 45 (7), pp.3654-3662. ⟨10.1093/nar/gkx148⟩. ⟨hal-01518937⟩
  • Emmanuelle Bignon, Marco Marazzi, Vanessa Besancenot, Hugo Gattuso, Guillaume Drouot, et al.. Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process . Scientific Reports, Nature Publishing Group, 2017, 7, pp. Article Number: 8885 ⟨10.1038/s41598-017-09406-8⟩. ⟨hal-01583391⟩
  • Emmanuelle Bignon, Marco Marazzi, Vanessa Besancenot, Hugo Gattuso, Guillaume Drouot, et al.. Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process. Scientific Reports, Nature Publishing Group, 2017, 7, pp.8885. ⟨10.1038/s41598-017-09406-8⟩. ⟨hal-02184817⟩
  • Emmanuelle Bignon, Tomáš Dršata, Christophe Morell, Filip Lankaš, Elise Dumont. Interstrand cross-linking implies contrasting structural consequences for DNA: insights from molecular dynamics. Nucleic Acids Research, Oxford University Press, 2017, 45 (4), pp.2188-2195. ⟨10.1093/nar/gkw1253⟩. ⟨hal-01449663⟩
  • Emmanuelle Bignon, Chen-Hui Chan, Christophe Morell, Antonio Monari, Jean-Luc Ravanat, et al.. Molecular Dynamics Insights into Polyamine-DNA Binding Modes: Implications for Cross-Link Selectivity. Chemistry - A European Journal, Wiley-VCH Verlag, 2017, 23 (52), pp.12845-12852. ⟨10.1002/chem.201702065⟩. ⟨hal-02184808⟩
  • Emmanuelle Bignon, Chen-Hui Chan, Christophe Morell, Antonio Monari, Jean-Luc Ravanat, et al.. Molecular Dynamics Insights into Polyamine-DNA Binding Modes: Implications for Cross-Link Selectivity. Chemistry - A European Journal, Wiley-VCH Verlag, 2017, 23 (52), pp.12845-12852. ⟨10.1002/chem.201702065⟩. ⟨hal-01646327⟩
  • Debora Vilona, David Lachkar, Elise Dumont, Moreno Lelli, Emmanuel Lacôte. Elucidation of the Conformation of Polyglycine Organo-Polyoxotungstates: Evidence for Zipper Folding. Chemistry - A European Journal, Wiley-VCH Verlag, 2017, 23 (54), pp.13323 - 13327. ⟨10.1002/chem.201703509⟩. ⟨hal-01646338⟩
  • Michael Terzidis, Andreea Prisecaru, Zara Molphy, Niall Barron, Antonio Randazzo, et al.. Radical-induced purine lesion formation is dependent on DNA helical topology. Free Radical Research, Taylor & Francis, 2016, 50 (sup1), pp.S91 - S101. ⟨10.1080/10715762.2016.1244820⟩. ⟨hal-01896736⟩
  • David Lachkar, Debora Vilona, Elise Dumont, Moreno Lelli, Emmanuel Lacôte. Grafting of Secondary Diolamides onto [P 2 W 15 V 3 O 62 ] 9− Generates Hybrid Heteropoly Acids. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2016, 55 (20), pp.5961 - 5965. ⟨10.1002/anie.201510954⟩. ⟨hal-01889542⟩
  • Hugo Gattuso, Élodie Durand, Emmanuelle Bignon, Christophe Morell, Alexandros Georgakilas, et al.. Repair Rate of Clustered Abasic DNA Lesions by Human Endonuclease: Molecular Bases of Sequence Specificity. The Journal of Physical Chemistry Letters, 2016, 7 (19), pp.3760-3765. ⟨10.1021/acs.jpclett.6b01692⟩. ⟨hal-02185649⟩
  • Hugo Gattuso, Elodie Durand, Emmanuelle Bignon, Christophe Morell, Alexandros G. Georgakilas, et al.. Repair Rate of Clustered Abasic DNA Lesions by Human Endonuclease: Molecular Bases of Sequence Specificity. Journal of Physical Chemistry Letters, American Chemical Society, 2016, 7 (19), pp.3760-3765. ⟨10.1021/acs.jpclett.6b01692⟩. ⟨hal-01449702⟩
  • Hugo Gattuso, Elise Dumont, Christophe Chipot, Antonio Monari, François Dehez. Thermodynamics of DNA: sensitizer recognition. Characterizing binding motifs with all-atom simulations. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (48), pp.33180 - 33186. ⟨10.1039/c6cp06078a⟩. ⟨hal-01889541⟩
  • Marco Marazzi, Meilani Wibowo, Hugo Gattuso, Elise Dumont, Daniel Roca-Sanjuan, et al.. Hydrogen abstraction by photoexcited benzophenone: consequences for DNA photosensitization . Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (11), pp.7829-7836. ⟨10.1039/C5CP07938A⟩. ⟨hal-01287926⟩
  • Hugo Gattuso, Elise Dumont, Christophe Chipot, Antonio Monari, François Dehez. Thermodynamics of DNA: sensitizer recognition. Characterizing binding motifs with all-atom simulations. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (48), pp.33180-33186. ⟨10.1039/C6CP06078A⟩. ⟨hal-02186080⟩
  • Hugo Gattuso, Elise Dumont, Marco Marazzi, Antonio Monari. Two-photon-absorption DNA sensitization via solvated electron production: unraveling photochemical pathways by molecular modeling and simulation. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (27), pp.18598 - 18606. ⟨10.1039/c6cp02592g⟩. ⟨hal-01449676⟩
  • Hugo Gattuso, Elise Dumont, Marco Marazzi, Antonio Monari. Two-photon-absorption DNA sensitization via solvated electron production: unraveling photochemical pathways by molecular modeling and simulation. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (27), pp.18598-18606. ⟨10.1039/C6CP02592G⟩. ⟨hal-02186177⟩
  • Emmanuelle Bignon, Hugo Gattuso, Christophe Morell, François Dehez, Alexandros G. Georgakilas, et al.. Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion. Nucleic Acids Research, Oxford University Press, 2016, 44 (18), pp.8588-8599. ⟨10.1093/nar/gkw773⟩. ⟨hal-01449647⟩
  • Elise Dumont, Raymond Grüber, Emmanuelle Bignon, Christophe Morell, Yohann Moreau, et al.. Probing the reactivity of singlet oxygen with purines. Nucleic Acids Research, Oxford University Press, 2016, 44 (1), pp.56-62. ⟨10.1093/nar/gkv1364⟩. ⟨hal-01271590⟩
  • Emmanuelle Bignon, Hugo Gattuso, Christophe Morell, François Dehez, Alexandros Georgakilas, et al.. Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion. Nucleic Acids Research, Oxford University Press, 2016, 44 (18), pp.8588-8599. ⟨10.1093/nar/gkw773⟩. ⟨hal-02185729⟩
  • Christophe Kahlfuss, Sandrine Denis-Quanquin, Nathalie Calin, Elise Dumont, Marco Garavelli, et al.. Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers. Journal of the American Chemical Society, American Chemical Society, 2016, 138 (46), pp.15234 - 15242. ⟨10.1021/jacs.6b09311⟩. ⟨hal-01412979⟩
  • Elise Dumont, Raymond Grüber, Emmanuelle Bignon, Christophe Morell, Juan Aranda, et al.. Singlet Oxygen Attack on Guanine: Reactivity and Structural Signature within the B-DNA Helix. Chemistry - A European Journal, Wiley-VCH Verlag, 2016, 22 (35), pp.12358-12362. ⟨10.1002/chem.201601287⟩. ⟨hal-01449792⟩
  • Elise Dumont, Tomáš Dršata, Célia Fonseca Guerra, Filip Lankaš. Insights into the Structure of Intrastrand Cross-Link DNA Lesion-Containing Oligonucleotides: G[8–5m]T and G[8–5]C from Molecular Dynamics Simulations. Biochemistry, American Chemical Society, 2015, 54 (5), pp.1259-1267. ⟨10.1021/bi501157v⟩. ⟨hal-01115561⟩
  • Miquel Huix-Rotllant, Elise Dumont, Nicolas Ferré, Antonio Monari. Photophysics of Acetophenone Interacting with DNA: Why the Road to Photosensitization is Open. Journal of Photochemistry and Photobiology, 2015, 91 (2), pp.323-330. ⟨10.1111/php.12395⟩. ⟨hal-01234430⟩
  • Elise Dumont, Meilani Wibowo, Daniel Roca-Sanjuán, Marco Garavelli, Xavier Assfeld, et al.. Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level. Journal of Physical Chemistry Letters, American Chemical Society, 2015, 6, pp.576-580. ⟨http://pubs.acs.org/doi/abs/10.1021/jz502562d?journalCode=jpclcd⟩. ⟨10.1021/jz502562d⟩. ⟨hal-01114786⟩
  • Irene Conti, Artur Nenov, Siegfried Höfinger, Salvatore Flavio Altavilla, Ivan Rivalta, et al.. Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17 (11), pp.7291-7302. ⟨10.1039/c4cp05546b⟩. ⟨hal-01234547⟩
  • Evangeline Drink, Elise Dumont, Nils Aronssohn, Philippe Dugourd, Rodolphe Antoine, et al.. Optical Properties of Prodigiosin and Obatoclax. Action Spectroscopy and Theoretical Calculations. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, http://pubs.rsc.org/en/content/articlelanding/2015/cp/c5cp01498k#!divAbstract. ⟨10.1039/C5CP01498K⟩. ⟨hal-01160097⟩
  • Artur Nenov, Angelo Giussani, Benjamin P. Fingerhut, Ivan Rivalta, Elise Dumont, et al.. Spectral lineshapes in nonlinear electronic spectroscopy. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17 (46), pp.30925-30936. ⟨10.1039/c5cp01167a⟩. ⟨hal-01246263⟩
  • Emmanuelle Bignon, Hugo Gattuso, Christophe Morell, Elise Dumont, Antonio Monari. DNA Photosensitization by an "Insider": Photophysics and Triplet Energy Transfer of 5-Methyl-2-pyrimidone Deoxyribonucleoside. Chemistry - A European Journal, Wiley-VCH Verlag, 2015, 21 (32), pp.11509-11516. ⟨10.1002/chem.201501212⟩. ⟨hal-01186698⟩
  • Artur Nenov, Javier Segarra-Martí, Angelo Giussani, Irene Conti, Ivan Rivalta, et al.. Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations. Faraday Discussions, Royal Society of Chemistry, 2015, 177, pp.345-362. ⟨10.1039/c4fd00175c⟩. ⟨hal-01234546⟩
  • Élise Dumont, Antonio Monari. Interaction of Palmatine with DNA: An Environmentally Controlled Phototherapy Drug. Journal of Physical Chemistry B, American Chemical Society, 2015, 119 (2), pp.410-419. ⟨http://pubs.acs.org/doi/abs/10.1021/jp5088515⟩. ⟨10.1021/jp5088515⟩. ⟨hal-01114787⟩
  • Raymond Grüber, Élise Dumont. DFT investigation of the formation of linear aminols as the first step toward the induction of oxidatively generated interstrand cross-link DNA lesions. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2015, 134 (3), pp.26. ⟨10.1007/s00214-015-1631-9⟩. ⟨hal-01234544⟩
  • Christophe Morell, Vincent Tognetti, Emmanuelle Bignon, Elise Dumont, Noemi Hernandez-Haro, et al.. Insights into the chemical meanings of the reaction electronic flux. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2015, 134 (11), pp.e133. ⟨10.1007/s00214-015-1730-7⟩. ⟨hal-01363815⟩
  • Antonio Monari, Elise Dumont, Chryssostomos Chatgilialoglu. Editorial: Radiation-induced and oxidative DNA damages. Frontiers in Chemistry, Frontiers, 2015, 3, ⟨10.3389/fchem.2015.00054⟩. ⟨hal-02187408⟩
  • Elise Dumont, Antonio Monari. Understanding DNA under oxidative stress and sensitization: the role of molecular modeling. Frontiers in Chemistry, Frontiers, 2015, 3, pp.43. ⟨10.3389/fchem.2015.00043⟩. ⟨hal-01889534⟩
  • Julian Garrec, Elise Dumont. Are Dinucleoside Monophosphates Relevant Models for the Study of DNA Intrastrand Cross-Link Lesions? The Example of G[8–5m]T. Chemical Research in Toxicology, American Chemical Society, 2014, 27 (7), pp.1282-1293. ⟨http://pubs.acs.org/doi/abs/10.1021/tx500152d⟩. ⟨10.1021/tx4004616⟩. ⟨hal-01114965⟩
  • Raymond Grüber, Antonio Monari, Elise Dumont. Stability of the Guanine Endoperoxide Intermediate: A Computational Challenge for Density Functional Theory. Journal of Physical Chemistry B, American Chemical Society, 2014, 118 (49), pp.11612-11619. ⟨http://pubs.acs.org/doi/abs/10.1021/jp508330r⟩. ⟨10.1021/jp508330r⟩. ⟨hal-01114788⟩
  • Anthony d'Aléo, Elise Dumont, Olivier Maury, Nicolas Giraud. A multidimensional approach to the analysis of chemical shift titration experiments in the frame of a multiple reaction scheme. Magnetic Resonance in Chemistry, Wiley, 2013, 51 (10), pp.641-648. ⟨http://onlinelibrary.wiley.com/doi/10.1002/mrc.3994/abstract;jsessionid=8C509F8143CC67B50231A89409C8F2C9.f02t01⟩. ⟨10.1002/mrc.3994⟩. ⟨hal-01115341⟩
  • Elise Dumont, Guillaume Pompidor, Anthony d'Aléo, Jean Vicat, Loic Toupet, et al.. Exploration of the supramolecular interactions involving tris-dipicolinate lanthanide complexes in protein crystals by a combined biostructural, computational and NMR study.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2013, 15 (41), pp.18235-42. ⟨http://pubs.rsc.org/en/Content/ArticleLanding/2013/CP/c3cp53671h#!divAbstract⟩. ⟨10.1039/c3cp53671h⟩. ⟨hal-01326128⟩
  • Élise Dumont, Nicolas Ferré, Antonio Monari. Towards an accurate treatment of σ∗←σ transitions: Moving onto. Chemical Physics Letters, Elsevier, 2013, 580, pp.14-20. ⟨http://www.sciencedirect.com/science/article/pii/S000926141300821X⟩. ⟨10.1016/j.cplett.2013.06.044⟩. ⟨hal-01115343⟩
  • Elise Dumont. One-electron addition on short-loop selenylsulfide and diselenide-linked biomolecules: From diethyldichalcogens to Grx3-like selenopeptides. International Journal of Quantum Chemistry Symposium, 2012, 112 (8), pp.2018-2029. ⟨http://onlinelibrary.wiley.com/doi/10.1002/qua.23233/abstract⟩. ⟨10.1002/qua.23233⟩. ⟨hal-01115359⟩
  • Céline Dupont, Elise Dumont, Denis Jacquemin. Superior Performance of Range-Separated Hybrid Functionals for Describing σ* ← σ UV-Vis Signatures of Three-Electron Two-Center Anions. Journal of Physical Chemistry A, American Chemical Society, 2012, 116 (12), pp.3237-3246. ⟨10.1021/jp211875r⟩. ⟨hal-00865317⟩
  • Julian Garrec, Chandan Patel, Ursula Rothlisberger, Elise Dumont. Insights into Intrastrand Cross-Link Lesions of DNA from QM/MM Molecular Dynamics Simulations. Journal of the American Chemical Society, American Chemical Society, 2012, 134 (4), pp.2111-2119. ⟨http://pubs.acs.org/doi/abs/10.1021/ja2084042⟩. ⟨10.1021/ja2084042⟩. ⟨hal-01115345⟩
  • Élise Dumont, Adele D. Laurent, Xavier Assfeld, Denis Jacquemin. Performances of recently-proposed functionals for describing disulfide radical anions and similar systems. Chemical Physics Letters, Elsevier, 2011, 501 (4-6), pp.245-251. ⟨http://www.sciencedirect.com/science/article/pii/S0009261410015435⟩. ⟨10.1016/j.cplett.2010.11.062⟩. ⟨hal-01116173⟩
  • Elise Dumont, Carine Michel, Philippe Sautet. Unraveling Gold(I)-Specific Action Towards Peptidic Disulfide Cleavage: A DFT Investigation. ChemPhysChem, Wiley-VCH Verlag, 2011, 12 (14), pp.2596-2603. ⟨http://onlinelibrary.wiley.com/doi/10.1002/cphc.201100336/abstract⟩. ⟨10.1002/cphc.201100336⟩. ⟨hal-01121423⟩
  • Élise Dumont, Nicolas Ferré. Geometrical Embedding Governs a Dramatic Variation of Electron Paramagnetic Resonance Hyperfine Coupling Constants of Disulfide Radical Anions. Journal of Physical Chemistry B, American Chemical Society, 2011, 115 (20), pp.6776-6783. ⟨http://pubs.acs.org/doi/abs/10.1021/jp2021566⟩. ⟨10.1021/jp2021566⟩. ⟨hal-01104310⟩
  • Céline Dupont, Chandan Patel, Elise Dumont. Improved DFT Description of Intrastrand Cross-Link Formation by Inclusion of London Dispersion Corrections. Journal of Physical Chemistry B, American Chemical Society, 2011, 115 (50), pp.15138-15144. ⟨http://pubs.acs.org/doi/abs/10.1021/jp209074q⟩. ⟨10.1021/jp209074q⟩. ⟨hal-01115361⟩
  • Elise Dumont, Adele D. Laurent, Xavier Assfeld. Intersulfur Distance Is a Key Factor in Tuning Disulfide Radical Anion Vertical UV−Visible Absorption. Journal of Physical Chemistry Letters, American Chemical Society, 2010, 1 (2), pp.581-586. ⟨http://pubs.acs.org/doi/abs/10.1021/jz900214e⟩. ⟨10.1021/jz900214e⟩. ⟨hal-01116178⟩
  • Elise Dumont, Pierre-Francois Loos, Adele D. Laurent, Xavier Assfeld. Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds. International Journal of Quantum Chemistry Symposium, 2010, 110 (3), pp.513-523. ⟨http://onlinelibrary.wiley.com/doi/10.1002/qua.22072/abstract;jsessionid=04DA6D9319381E868AA170B3D8FF0213.f03t01⟩. ⟨10.1002/qua.22072⟩. ⟨hal-01116181⟩
  • Inacrist Geronimo, Nicolas Chéron, Paul Fleurat-Lessard, Élise Dumont. How does microhydration impact on structure, spectroscopy and formation of disulfide radical anions? An ab initio investigation on dimethyldisulfide. Chemical Physics Letters, Elsevier, 2009, 481 (4-6), pp.173-179. ⟨http://www.sciencedirect.com/science/article/pii/S0009261409012007⟩. ⟨10.1016/j.cplett.2009.09.079⟩. ⟨hal-01116184⟩
  • Pierre-François Loos, Elise Dumont, Adele D. Laurent, Xavier Assfeld. Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks. Chemical Physics Letters, Elsevier, 2009, 475 (1-3), pp.120-123. ⟨http://www.sciencedirect.com/science/article/pii/S0009261409006071⟩. ⟨10.1016/j.cplett.2009.05.041⟩. ⟨hal-01116187⟩
  • Élise Dumont, Adele D. Laurent, Pierre-François Loos, Xavier Assfeld. Analyzing the Selectivity and Successiveness of a Two-Electron Capture on a Multiply Disulfide-Linked Protein. Journal of Chemical Theory and Computation, American Chemical Society, 2009, 5 (6), pp.1700-1708. ⟨http://pubs.acs.org/doi/abs/10.1021/ct900093h⟩. ⟨10.1021/ct900093h⟩. ⟨hal-01116191⟩
  • Elise Dumont, Pierre-François Loos, Adele D. Laurent, Xavier Assfeld. Huge Disulfide-Linkage’S Electron Capture Variation Induced by α-Helix Orientation. Journal of Chemical Theory and Computation, American Chemical Society, 2008, 4 (8), pp.1171-1173. ⟨http://pubs.acs.org/doi/abs/10.1021/ct800161m⟩. ⟨10.1021/ct800161m⟩. ⟨hal-01116239⟩
  • Élise Dumont, Pierre-François Loos, Xavier Assfeld. Factors Governing Electron Capture by Small Disulfide Loops in Two-Cysteine Peptides. Journal of Physical Chemistry B, American Chemical Society, 2008, 112 (43), pp.13661-13669. ⟨http://pubs.acs.org/doi/abs/10.1021/jp806465e⟩. ⟨10.1021/jp806465e⟩. ⟨hal-01116240⟩

Conference papers12 documents

  • Chen-Hui Chan, Elise Dumont, David Loffreda. Theoretical Study of Hydrated Gold Nanoparticles for Radiotherapy Applications. Colloque du GDR SOLVATE, Feb 2019, Lyon, France. ⟨hal-02120241⟩
  • Elise Dumont. Probing the mechanistic pathways and structural aftermaths of complex DNA lesions. BIO2018 Congress and 51st Meeting of the Polish Biochemical Society, Sep 2018, Gdansk, Poland. ⟨hal-02061517⟩
  • Chen-Hui Chan, Elise Dumont, David Loffreda. Theoretical Study of Hydrated Gold Nanoparticles for Radiotherapy Applications. Colloque du GDR NanOperando, Nov 2018, Lyon, France. ⟨hal-02120238⟩
  • Elise Dumont. Dynamique des lésions de l'ADN. XVIèmes Rencontres des Chimistes Théoriciens Francophones, Oct 2018, Toulouse, France. ⟨hal-02061604⟩
  • Chen-Hui Chan, Elise Dumont, David Loffreda. Theoretical Study of Hydrated Gold Nanoparticles for Radiotherapy Applications. DocScilor, Jun 2017, Nancy,, France. ⟨hal-02120243⟩
  • Elise Dumont. Molecular dynamics investigation of DNA tandem lesions repair. FemEx 2017, Jun 2017, Putten, Netherlands. ⟨hal-01726406⟩
  • Emmanuelle Bignon, Tomáš Dršata, Elise Dumont, Christophe Morell, Filip Lankaš. MODELLING THE INTERSTRAND CROSS-LINKS IMPACT ON DNA STRUCTURE. 14th International Workshop on Radiation Damage to DNA, Mar 2016, Melbourne, Australia. ⟨hal-01490046⟩
  • Elise Dumont. Probing the reactivity underpinning DNA lesions by multiscale simulations. 14th International Workshop on Radiation Damage to DNA, Mar 2016, Melbourne, Australia. ⟨hal-01490041⟩
  • Emmanuelle Bignon, Christophe Morell, Elise Dumont. Abasic Sites Impact on DNA Structure and Interstrand Cross-Links Generation Modelling. COST Action CM1201 : Biomimetic Radical Chemistry & ClicGene , Mar 2016, Grenoble, France. ⟨hal-01490054⟩
  • Emmanuelle Bignon, Hugo Gattuso, Christophe Morell, Antonio Monari, Elise Dumont. Modelling the structure and triplet-triplet energy transfer of the 6-4 photoproduct. Joint Congress of the French and Italian Photochemists and Photobiologists 2016, Sep 2016, Bari, Italy. ⟨hal-01488339⟩
  • Emmanuelle Bignon, Raymond Grüber, Elise Dumont, Christophe Morell, Jean-Luc Ravanat. Modélisation de structures d'ADN endommagé : un microscope computationnel. Forum de la recherche en cancérologie Rhône-Alpes Auvergne, Mar 2016, Lyon, France. ⟨hal-01297487⟩
  • Elise Dumont, Chandan Patel, Julian Garrec. 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. ⟨hal-02061507⟩