Elise Duboué-Dijon
Affiliations: | 2018- | Institute of Physical and Chemical Biology |
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Parents
Sign in to add mentor| Damien Laage | grad student | 2012-2015 | ENS Paris |
| Pavel Jungwirth | post-doc | 2016-2018 | IOCB Prague |
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Publications
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| Le Nguyen NL, Tichacek O, Jungwirth P, et al. (2025) Ion pairing in aqueous tetramethylammonium-acetate solutions by neutron scattering and molecular dynamics simulations. Physical Chemistry Chemical Physics : Pccp. 27: 2553-2562 |
| Forget S, Juillé M, Duboué-Dijon E, et al. (2024) Simulation-Guided Conformational Space Exploration to Assess Reactive Conformations of a Ribozyme. Journal of Chemical Theory and Computation |
| Frezza E, Laage D, Duboué-Dijon E. (2024) Molecular Origin of Distinct Hydration Dynamics in Double Helical DNA and RNA Sequences. The Journal of Physical Chemistry Letters. 15: 4351-4358 |
| Mason PE, Martinek T, Fábián B, et al. (2024) Hydration of biologically relevant tetramethylammonium cation by neutron scattering and molecular dynamics. Physical Chemistry Chemical Physics : Pccp |
| Puyo-Fourtine J, Juillé M, Hénin J, et al. (2022) Consistent Picture of Phosphate-Divalent Cation Binding from Models with Implicit and Explicit Electronic Polarization. The Journal of Physical Chemistry. B. 126: 4022-4034 |
| Mendes de Oliveira D, Zukowski SR, Palivec V, et al. (2020) Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy. Physical Chemistry Chemical Physics : Pccp |
| Duboué-Dijon E, Javanainen M, Delcroix P, et al. (2020) A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization. The Journal of Chemical Physics. 153: 050901 |
| Mason PE, Jungwirth P, Duboué-Dijon E. (2019) Quantifying the Strength of a Salt Bridge by Neutron Scattering and Molecular Dynamics. The Journal of Physical Chemistry Letters. 3254-3259 |
| Brezina K, Duboué-Dijon E, Palivec V, et al. (2018) Can Arginine Inhibit Insulin Aggregation? A Combined Protein Crystallography, Capillary Electrophoresis, and Molecular Simulation Study. The Journal of Physical Chemistry. B |
| Martinek T, Duboué-Dijon E, Timr Š, et al. (2018) Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering. The Journal of Chemical Physics. 148: 222813 |