Élise Duboué-Dijon

Characterization of the Local Structure in Liquid Water by Various Order Parameters

Élise Duboué-Dijon, Damien Laage · The Journal of Physical Chemistry B · 2015 · 197 citations · Full text

Hydroelasticity, Local Structure, Engineering +18

Dynamical Disorder in the DNA Hydration Shell

Élise Duboué-Dijon, Aoife C. Fogarty, James T. Hynes et al. · Journal of the American Chemical Society · 2016 · 130 citations

Temporal Heterogeneity, Hydration Shell, Protein Folding +15

Hydration and Ion Pairing in Aqueous Mg²⁺ and Zn²⁺ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations

Élise Duboué-Dijon, Philip E. Mason, Henry E. Fischer et al. · The Journal of Physical Chemistry B · 2017 · 110 citations · Full text

Calcium ions in aqueous solutions: Accurate force field description aided by <i>ab initio</i> molecular dynamics and neutron scattering

Tomáš Martínek, Élise Duboué-Dijon, Štěpán Timr et al. · The Journal of Chemical Physics · 2018 · 107 citations · Full text

Engineering, Refined Calcium Parameterization, Molecular Biology +18

Binding of Divalent Cations to Insulin: Capillary Electrophoresis and Molecular Simulations

Élise Duboué-Dijon, Pauline Delcroix, Hector Martinez‐Seara et al. · The Journal of Physical Chemistry B · 2018 · 65 citations · Full text

Engineering, Molecular Simulations, Protein Phase Separation +17