List of works - Elise Duboué-Dijon

A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization

scientific article published on 01 August 2020

Ab Initio Simulations of Water Dynamics in Aqueous TMAO Solutions: Temperature and Concentration Effects.

scientific article

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

scientific article published on 23 January 2018

Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy

scientific article published on 20 October 2020

Biomolecular hydration dynamics: a jump model perspective

scientific article published on July 2013

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

scientific article published on 01 June 2018

Can Arginine Inhibit Insulin Aggregation? A Combined Protein Crystallography, Capillary Electrophoresis, and Molecular Simulation Study

scientific article published on 10 September 2018

Can Arginine inhibit Insulin Aggregation? A Combined Protein Crystallography, Capillary Electrophoresis, and Molecular Simulation Study

Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

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

scientific article published on 19 June 2015

Comparative study of hydration shell dynamics around a hyperactive antifreeze protein and around ubiquitin.

scientific article published on December 2014

Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent

scientific article published on 4 July 2017

Dynamical Disorder in the DNA Hydration Shell

scientific article

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

scientific article

Origins of the non-exponential reorientation dynamics of nanoconfined water

scientific article published on 01 November 2014

Quantifying the Strength of a Salt Bridge by Neutron Scattering and Molecular Dynamics

scientific article published on 03 June 2019

Quantifying the Strength of a Salt Bridge by Neutron Scattering and Molecular Dynamics

Temperature dependence of hydrophobic hydration dynamics: from retardation to acceleration

scientific article

List of works by Elise Duboué-Dijon

A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization

Ab Initio Simulations of Water Dynamics in Aqueous TMAO Solutions: Temperature and Concentration Effects.

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

Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy

Biomolecular hydration dynamics: a jump model perspective

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

Can Arginine Inhibit Insulin Aggregation? A Combined Protein Crystallography, Capillary Electrophoresis, and Molecular Simulation Study

Can Arginine inhibit Insulin Aggregation? A Combined Protein Crystallography, Capillary Electrophoresis, and Molecular Simulation Study

Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

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

Comparative study of hydration shell dynamics around a hyperactive antifreeze protein and around ubiquitin.

Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent

Dynamical Disorder in the DNA Hydration Shell

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

Origins of the non-exponential reorientation dynamics of nanoconfined water

Quantifying the Strength of a Salt Bridge by Neutron Scattering and Molecular Dynamics

Quantifying the Strength of a Salt Bridge by Neutron Scattering and Molecular Dynamics

Temperature dependence of hydrophobic hydration dynamics: from retardation to acceleration