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The Journal of Chemical Physics|April 9, 2021
Assessing the sequence dependence of pyrimidine-pyrimidone (6-4) photoproduct in a duplex double-stranded DNA: A pitfall for microsecond range simulationNatacha Gillet, Alessio Bartocci, Elise DumontPhotochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|May 11, 2023
Rationalizing the environment-dependent photophysical behavior of a DNA luminescent probe by classical and non-adiabatic molecular dynamics simulationsAntonio Monari, Alain Burger, Elise DumontBiophysical Journal|July 11, 2024
What tunes guanine ionization potential in a nucleosome? An all-in-one systematic QM/MM assessmentMaxime Kermarrec, Elise Dumont, Natacha GilletPhotochemistry and Photobiology|October 26, 2021
The Behavior of Triplet Thymine in a Model B-DNA Strand. Energetics and Spin Density Localization Revealed by ab initio Molecular Dynamics SimulationsLaleh Allahkaram, Antonio Monari, Elise DumontThe Journal of Physical Chemistry. B|November 5, 2011
Improved DFT description of intrastrand cross-link formation by inclusion of London dispersion correctionsCéline Dupont, Chandan Patel, Elise DumontThe Journal of Physical Chemistry. A|November 19, 2014
Stability of the guanine endoperoxide intermediate: a computational challenge for density functional theoryRaymond Grüber, Antonio Monari, Elise DumontThe Journal of Physical Chemistry Letters|February 15, 2023
Molecular Basis of the pH-Controlled Maturation of the Tick-Borne Encephalitis FlavivirusEmmanuelle Bignon, Elise Dumont, Antonio MonariThe Journal of Physical Chemistry. B|October 8, 2008
Factors governing electron capture by small disulfide loops in two-cysteine peptidesElise Dumont, Pierre-François Loos, Xavier AssfeldThe Journal of Physical Chemistry. B|December 10, 2013
Impact of DNA environment on the intrastrand cross-link lesions: hydrogen atom release as the last step of formation of G[8-5m]TJosé Pedro Cerón-Carrasco, Denis Jacquemin, Elise DumontMolecules (Basel, Switzerland)|November 13, 2021
Molecular Mechanisms Associated with Clustered Lesion-Induced Impairment of 8-oxoG Recognition by the Human Glycosylase OGG1Tao Jiang, Antonio Monari, Elise Dumont, et al.Pageof 10