Elise Dumont, Ph.D. - Publications

Affiliations: 
Chemistry Ecole Normale Supérieure de Lyon 
Area:
Theoretical Chemistry
Website:
http://perso.ens-lyon.fr/elise.dumont/

71 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Chan CH, Monari A, Ravanat JL, Dumont E. Probing interaction of a trilysine peptide with DNA underlying formation of guanine-lysine cross-links: insights from molecular dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 31624816 DOI: 10.1039/c9cp04708e  1
2019 Jeamet E, Septavaux J, Héloin A, Donnier-Maréchal M, Dumartin M, Ourri B, Mandal P, Huc I, Bignon E, Dumont E, Morell C, Francoia JP, Perret F, Vial L, Leclaire J. Wetting the lock and key enthalpically favours polyelectrolyte binding. Chemical Science. 10: 277-283. PMID 30746081 DOI: 10.1039/c8sc02966k  0.72
2019 Chan CH, Poignant F, Beuve M, Dumont E, Loffreda D. A Water Solvation Shell can Transform Gold Metastable Nanoparticles in the Fluxional Regime. The Journal of Physical Chemistry Letters. PMID 30707843 DOI: 10.1021/acs.jpclett.8b03822  0.32
2018 Francés-Monerris A, Gattuso H, Roca-Sanjuán D, Tuñón I, Marazzi M, Dumont E, Monari A. Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA. Chemical Science. 9: 7902-7911. PMID 30450180 DOI: 10.1039/c8sc03252a  1
2018 Kahlfuss C, Grüber R, Dumont E, Royal G, Chevallier F, Saint-Aman E, Bucher C. Dynamic Molecular Metamorphism involving Palladium-Assisted Dimerization of π-Cation Radicals. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30428127 DOI: 10.1002/chem.201805017  0.64
2018 Segarra-Martí J, Zvereva EE, Marazzi M, Brazard J, Dumont E, Assfeld X, Haacke S, Garavelli M, Monari A, Léonard J, Rivalta I. Resolving the singlet excited states manifold of benzophenone by first-principles simulations and ultrafast spectroscopy. Journal of Chemical Theory and Computation. PMID 29614854 DOI: 10.1021/acs.jctc.7b01208  1
2018 Zvereva E, Segarra-Martí J, Marazzi M, Brazard J, Nenov A, Weingart O, Léonard J, Garavelli M, Rivalta I, Dumont E, Assfeld X, Haacke S, Monari A. The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. PMID 29383356 DOI: 10.1039/c7pp00439g  1
2018 Zhang H, Gattuso H, Dumont E, Cai W, Monari A, Chipot C, Dehez F. Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA. Molecules (Basel, Switzerland). 23. PMID 29370096 DOI: 10.3390/molecules23020228  1
2017 Bignon E, Marazzi M, Besancenot V, Gattuso H, Drouot G, Morell C, Eriksson LA, Grandemange S, Dumont E, Monari A. Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process. Scientific Reports. 7: 8885. PMID 28827702 DOI: 10.1038/s41598-017-09406-8  1
2017 Bignon E, Chan CH, Morell C, Monari A, Ravanat JL, Dumont E. Molecular Dynamics Insights into Polyamine-DNA Binding Modes: Implications for Cross-Link Selectivity. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28815856 DOI: 10.1002/chem.201702065  1
2017 Dehez F, Gattuso H, Bignon E, Morell C, Dumont E, Monari A. Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates. Nucleic Acids Research. PMID 28334906 DOI: 10.1093/nar/gkx148  1
2016 Bignon E, Dršata T, Morell C, Lankaš F, Dumont E. Interstrand cross-linking implies contrasting structural consequences for DNA: insights from molecular dynamics. Nucleic Acids Research. PMID 27986856 DOI: 10.1093/nar/gkw1253  0.72
2016 Gattuso H, Dumont E, Chipot C, Monari A, Dehez F. Thermodynamics of DNA: sensitizer recognition. Characterizing binding motifs with all-atom simulations. Physical Chemistry Chemical Physics : Pccp. PMID 27892573 DOI: 10.1039/c6cp06078a  1
2016 Kahlfuss C, Denis-Quanquin S, Calin N, Dumont E, Garavelli M, Royal G, Cobo S, Saint-Aman E, Bucher C. Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers. Journal of the American Chemical Society. PMID 27766847 DOI: 10.1021/jacs.6b09311  0.56
2016 Terzidis MA, Prisecaru A, Molphy Z, Barron N, Randazzo A, Dumont E, Krokidis MG, Kellett A, Chatgilialoglu C. Radical-induced purine lesion formation is dependent on DNA helical topology. Free Radical Research. 1-28. PMID 27733084 DOI: 10.1080/10715762.2016.1244820  0.44
2016 Gattuso H, Durand E, Bignon E, Morell C, Georgakilas AG, Dumont E, Chipot C, Dehez F, Monari A. Repair Rate of Clustered Abasic DNA Lesions by Human Endonuclease: Molecular Bases of Sequence Specificity. The Journal of Physical Chemistry Letters. PMID 27612215 DOI: 10.1021/acs.jpclett.6b01692  1
2016 Bignon E, Gattuso H, Morell C, Dehez F, Georgakilas AG, Monari A, Dumont E. Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion. Nucleic Acids Research. PMID 27587587 DOI: 10.1093/nar/gkw773  1
2016 Dumont E, Grüber R, Bignon E, Morell C, Aranda J, Ravanat JL, Tuñón I. Singlet Oxygen Attack on Guanine: Reactivity and Structural Signature within the B-DNA Helix. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27440482 DOI: 10.1002/chem.201601287  0.72
2016 Gattuso H, Dumont E, Marazzi M, Monari A. Two-photon-absorption DNA sensitization via solvated electron production: unraveling photochemical pathways by molecular modeling and simulation. Physical Chemistry Chemical Physics : Pccp. PMID 27345613 DOI: 10.1039/c6cp02592g  1
2016 Marazzi M, Wibowo M, Gattuso H, Dumont E, Roca-Sanjuán D, Monari A. Hydrogen abstraction by photoexcited benzophenone: consequences for DNA photosensitization. Physical Chemistry Chemical Physics : Pccp. PMID 26911193 DOI: 10.1039/c5cp07938a  1
2015 Dumont E, Grüber R, Bignon E, Morell C, Moreau Y, Monari A, Ravanat JL. Probing the reactivity of singlet oxygen with purines. Nucleic Acids Research. PMID 26656495 DOI: 10.1093/nar/gkv1364  1
2015 Monari A, Dumont E, Chatgilialoglu C. Editorial: Radiation-induced and oxidative DNA damages. Frontiers in Chemistry. 3: 54. PMID 26380254 DOI: 10.3389/fchem.2015.00054  1
2015 Dumont E, Wibowo M, Roca-Sanjuán D, Garavelli M, Assfeld X, Monari A. Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level. The Journal of Physical Chemistry Letters. 6: 576-80. PMID 26262469 DOI: 10.1021/jz502562d  1
2015 Dumont E, Monari A. Understanding DNA under oxidative stress and sensitization: the role of molecular modeling. Frontiers in Chemistry. 3: 43. PMID 26236706 DOI: 10.3389/fchem.2015.00043  1
2015 Bignon E, Gattuso H, Morell C, Dumont E, Monari A. DNA Photosensitization by an "Insider": Photophysics and Triplet Energy Transfer of 5-Methyl-2-pyrimidone Deoxyribonucleoside. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 11509-16. PMID 26133111 DOI: 10.1002/chem.201501212  1
2015 Drink E, Dugourd P, Dumont E, Aronssohn N, Antoine R, Loison C. Optical properties of prodigiosin and obatoclax: action spectroscopy and theoretical calculations. Physical Chemistry Chemical Physics : Pccp. PMID 26120608 DOI: 10.1039/c5cp01498k  1
2015 Nenov A, Giussani A, Fingerhut BP, Rivalta I, Dumont E, Mukamel S, Garavelli M. Spectral lineshapes in nonlinear electronic spectroscopy. Physical Chemistry Chemical Physics : Pccp. PMID 26084213 DOI: 10.1039/c5cp01167a  1
2015 Conti I, Nenov A, Höfinger S, Flavio Altavilla S, Rivalta I, Dumont E, Orlandi G, Garavelli M. 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 : Pccp. 17: 7291-302. PMID 25695904 DOI: 10.1039/c4cp05546b  1
2015 Nenov A, Segarra-Martí J, Giussani A, Conti I, Rivalta I, Dumont E, Jaiswal VK, Altavilla SF, Mukamel S, Garavelli M. Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations. Faraday Discussions. 177: 345-62. PMID 25607949 DOI: 10.1039/c4fd00175c  1
2015 Dumont E, Dršata T, Guerra CF, Lankaš F. 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. 54: 1259-67. PMID 25600505 DOI: 10.1021/bi501157v  1
2015 Dumont É, Monari A. Interaction of palmatine with DNA: an environmentally controlled phototherapy drug. The Journal of Physical Chemistry. B. 119: 410-9. PMID 25526561 DOI: 10.1021/jp5088515  1
2015 Huix-Rotllant M, Dumont E, Ferré N, Monari A. Photophysics of acetophenone interacting with DNA: why the road to photosensitization is open. Photochemistry and Photobiology. 91: 323-30. PMID 25412588 DOI: 10.1111/php.12395  1
2015 Dumont E, Wibowo M, Roca-Sanjuán D, Garavelli M, Assfeld X, Monari A. Resolving the benzophenone DNA-photosensitization mechanism at QM/MM level Journal of Physical Chemistry Letters. 6: 576-580. DOI: 10.1021/jz502562d  1
2015 Morell C, Tognetti V, Bignon E, Dumont E, Hernandez-Haro N, Herrera B, Grand A, Gutiérrez-Oliva S, Joubert L, Toro-Labbé A, Chermette H. Insights into the chemical meanings of the reaction electronic flux Theoretical Chemistry Accounts. 134. DOI: 10.1007/s00214-015-1730-7  1
2015 Bignon E, Gattuso H, Morell C, Dumont E, Monari A. DNA Photosensitization by an "Insider": Photophysics and Triplet Energy Transfer of 5-Methyl-2-pyrimidone Deoxyribonucleoside Chemistry - a European Journal. DOI: 10.1002/chem.201501212  1
2014 Grüber R, Monari A, Dumont E. Stability of the guanine endoperoxide intermediate: a computational challenge for density functional theory. The Journal of Physical Chemistry. A. 118: 11612-9. PMID 25405868 DOI: 10.1021/jp508330r  1
2014 Garrec J, Dumont E. 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. 27: 1133-41. PMID 24911289 DOI: 10.1021/tx4004616  1
2013 Cerón-Carrasco JP, Jacquemin D, Dumont E. Impact of DNA environment on the intrastrand cross-link lesions: hydrogen atom release as the last step of formation of G[8-5m]T. The Journal of Physical Chemistry. B. 117: 16397-404. PMID 24313734 DOI: 10.1021/jp408947u  1
2013 Patel C, Dršata T, Lankaš F, Dumont E. Structure, dynamics, and interactions of a C4'-oxidized abasic site in DNA: a concomitant strand scission reverses affinities. Biochemistry. 52: 8115-25. PMID 24131173 DOI: 10.1021/bi401268q  1
2013 Dumont E, Pompidor G, D'Aléo A, Vicat J, Toupet L, Kahn R, Girard E, Maury O, Giraud N. 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 : Pccp. 15: 18235-42. PMID 24064912 DOI: 10.1039/c3cp53671h  1
2013 D'Aléo A, Dumont E, Maury O, Giraud N. A multidimensional approach to the analysis of chemical shift titration experiments in the frame of a multiple reaction scheme. Magnetic Resonance in Chemistry : Mrc. 51: 641-8. PMID 23955873 DOI: 10.1002/mrc.3994  1
2013 Dupont C, Patel C, Ravanat JL, Dumont E. Addressing the competitive formation of tandem DNA lesions by a nucleobase peroxyl radical: a DFT-D screening. Organic & Biomolecular Chemistry. 11: 3038-45. PMID 23532200 DOI: 10.1039/c3ob40280k  1
2013 Patel C, Garrec J, Dupont C, Dumont E. What singles out the G[8-5]C intrastrand DNA cross-link? Mechanistic and structural insights from quantum mechanics/molecular mechanics simulations. Biochemistry. 52: 425-31. PMID 23256602 DOI: 10.1021/bi301198h  1
2013 Dumont E, Monari A. Benzophenone and DNA: Evidence for a double insertion mode and its spectral signature Journal of Physical Chemistry Letters. 4: 4119-4124. DOI: 10.1021/jz4021475  1
2013 Dumont E, Ferré N, Monari A. Towards an accurate treatment of σ* ← σ transitions: Moving onto N6 •- Chemical Physics Letters. 580: 14-20. DOI: 10.1016/j.cplett.2013.06.044  1
2012 Garrec J, Patel C, Rothlisberger U, Dumont E. Insights into intrastrand cross-link lesions of DNA from QM/MM molecular dynamics simulations. Journal of the American Chemical Society. 134: 2111-9. PMID 22200321 DOI: 10.1021/ja2084042  1
2012 Dupont C, Dumont E, Jacquemin D. Superior performance of range-separated hybrid functionals for describing δ* ← δ UV-vis signatures of three-electron two-center Anions Journal of Physical Chemistry A. 116: 3237-3246. DOI: 10.1021/jp211875r  1
2012 Dumont E. One-electron addition on short-loop selenylsulfide and diselenide-linked biomolecules: From diethyldichalcogens to Grx3-like selenopeptides International Journal of Quantum Chemistry. 112: 2018-2029. DOI: 10.1002/qua.23233  1
2011 Dupont C, Patel C, Dumont E. Improved DFT description of intrastrand cross-link formation by inclusion of London dispersion corrections. The Journal of Physical Chemistry. B. 115: 15138-44. PMID 22049920 DOI: 10.1021/jp209074q  1
2011 Dumont E, Michel C, Sautet P. Unraveling gold(I)-specific action towards peptidic disulfide cleavage: a DFT investigation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 2596-2603. PMID 22043500 DOI: 10.1002/cphc.201100336  1
2011 Dumont E, Ferré N. Geometrical embedding governs a dramatic variation of electron paramagnetic resonance hyperfine coupling constants of disulfide radical anions. The Journal of Physical Chemistry. B. 115: 6776-83. PMID 21542581 DOI: 10.1021/jp2021566  1
2011 Dumont E, Laurent AD, Assfeld X, Jacquemin D. Performances of recently-proposed functionals for describing disulfide radical anions and similar systems Chemical Physics Letters. 501: 245-251. DOI: 10.1016/j.cplett.2010.11.062  1
2010 Dumont E, Laurent AD, Assfeld X. Intersulfur distance is a key factor in tuning disulfide radical anion vertical UV-visible absorption Journal of Physical Chemistry Letters. 1: 581-586. DOI: 10.1021/jz900214e  1
2010 Dumont E, Loos PF, Laurent AD, Assfeld X. Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds International Journal of Quantum Chemistry. 110: 513-523. DOI: 10.1002/qua.22072  1
2009 Dumont É, Laurent AD, Loos PF, Assfeld X. Analyzing the Selectivity and Successiveness of a Two-Electron Capture on a Multiply Disulfide-Linked Protein. Journal of Chemical Theory and Computation. 5: 1700-8. PMID 26609860 DOI: 10.1021/ct900093h  0.68
2009 Dumont E, Chaquin P. Inductive effects on proton affinity of benzene derivatives: analysis using fictitious hydrogen atoms. The Journal of Physical Chemistry. A. 113: 2990-4. PMID 19243120 DOI: 10.1021/jp806871r  1
2009 Dumont E, Laurent AD, Loos PF, Assfeld X. Analyzing the selectivity and successiveness of a two-electron capture on a multiply disulfide-linked protein Journal of Chemical Theory and Computation. 5: 1700-1708. DOI: 10.1021/ct900093h  1
2009 Geronimo I, Chéron N, Fleurat-Lessard P, Dumont E. How does microhydration impact on structure, spectroscopy and formation of disulfide radical anions? An ab initio investigation on dimethyldisulfide Chemical Physics Letters. 481: 173-179. DOI: 10.1016/j.cplett.2009.09.079  1
2009 Loos PF, Dumont E, Laurent AD, Assfeld X. Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks Chemical Physics Letters. 475: 120-123. DOI: 10.1016/j.cplett.2009.05.041  1
2008 Dumont E, Loos PF, Laurent AD, Assfeld X. Huge Disulfide-Linkage'S Electron Capture Variation Induced by α-Helix Orientation. Journal of Chemical Theory and Computation. 4: 1171-3. PMID 26631693 DOI: 10.1021/ct800161m  0.84
2008 Dumont E, Loos PF, Assfeld X. Factors governing electron capture by small disulfide loops in two-cysteine peptides. The Journal of Physical Chemistry. B. 112: 13661-9. PMID 18837539 DOI: 10.1021/jp806465e  1
2008 Dumont E, Loos PF, Laurent AD, Assfeld X. Huge disulfide-linkage'S electron capture variation induced by α-helix orientation Journal of Chemical Theory and Computation. 4: 1171-1173. DOI: 10.1021/ct800161m  1
2008 Dumont E, Loos PF, Assfeld X. Effect of ring strain on disulfide electron attachment Chemical Physics Letters. 458: 276-280. DOI: 10.1016/j.cplett.2008.05.010  1
2007 Crittenden DL, Dumont EE, Gill PM. Intracule functional models. II. Analytically integrable kernels. The Journal of Chemical Physics. 127: 141103. PMID 17935377 DOI: 10.1063/1.2795694  1
2007 Dumont EE, Crittenden DL, Gill PM. Intracule functional models: I. Angle-corrected correlation kernels. Physical Chemistry Chemical Physics : Pccp. 9: 5340-3. PMID 17914470 DOI: 10.1039/b709513a  1
2007 Mobley DL, Dumont E, Chodera JD, Dill KA. Comparison of charge models for fixed-charge force fields: small-molecule hydration free energies in explicit solvent. The Journal of Physical Chemistry. B. 111: 2242-54. PMID 17291029 DOI: 10.1021/jp0667442  1
2007 Dumont E, Chaquin P. Investigation of pure inductive effects on benzene ring by 13C NMR chemical shifts: A theoretical study using fictitious nuclear charges of hydrogen atoms ('H* method') Chemical Physics Letters. 435: 354-357. DOI: 10.1016/j.cplett.2006.12.084  1
2006 Schriver A, Schriver-Mazzuoli L, Chaquin P, Dumont E. FTIR and ab initio study of the 1/1 complex between water and carbon dioxide in solid nitrogen. The Journal of Physical Chemistry. A. 110: 51-6. PMID 16392839 DOI: 10.1021/jp0581328  1
2006 Dumont E, Chaquin P. Diels-Alder reaction: A theoretical comprehensive study of substituent effects using the 'H* method' Journal of Molecular Structure: Theochem. 758: 161-167. DOI: 10.1016/j.theochem.2005.10.026  1
2004 Dorogov KY, Dumont E, Ho NN, Churakov AV, Kuzmina LG, Poblet JM, Schultz AJ, Howard JAK, Bau R, Lledos A, Nikonov GI. Neutron and X-ray diffraction studies and DFT calculations of asymmetric Bis(silyl) niobocene hydrides Organometallics. 23: 2845-2847. DOI: 10.1021/om034239a  1
2004 Dumont E, Chaquin P. The H* method: Hydrogen atoms with a fictitious nuclear charge. A versatile theoretical tool for study of atom and group properties as substituents: Electronegativity and partition of σ and π contributions Journal of Molecular Structure: Theochem. 680: 99-106. DOI: 10.1016/j.theochem.2004.05.003  1
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