Elise Duboué-Dijon

12PUBLICATIONS
24CO-AUTHORS
Polymerisation mechanismsSupramolecular chemistryReaction kinetics and dynamicsTransition metal chemistryRadiation and matter
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Publications (12)

|Dec 05, 2025
Sticky Salts: Overbinding of Monovalent Cations to Phosphorylations in All-Atom Force Fields.

Jules Marien, Julie Puyo-Fourtine, Chantal Prévost

|Aug 27, 2025
Implicit Electronic Polarization via Charge Scaling in Amber OLx Nucleic Acid Force Fields Improves Ion Pairing without Backbone Reparametrization.

Julie Puyo-Fourtine, Marie Zgarbová, Laetitia Kantin

|Mar 31, 2025
Molecular dynamics simulations for enzymatic hydride-transfer reactions: Defining environmental reaction coordinates to capture transition state diversity.

Rafael García-Meseguer, Elise Duboué-Dijon, Sergio Martí

|Jan 14, 2025
Ion pairing in aqueous tetramethylammonium-acetate solutions by neutron scattering and molecular dynamics simulations.

Ngoc Lan Le Nguyen, Ondrej Tichacek, Pavel Jungwirth

|Jul 03, 2024
Simulation-Guided Conformational Space Exploration to Assess Reactive Conformations of a Ribozyme.

Sélène Forget, Marie Juillé, Elise Duboué-Dijon

|Apr 15, 2024
Molecular Origin of Distinct Hydration Dynamics in Double Helical DNA and RNA Sequences.

Elisa Frezza, Damien Laage, Elise Duboué-Dijon

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Frequent Collaborators

4 joint publications

Pavel Jungwirth

3 joint publications

Damien Laage

3 joint publications

Hector Martinez-Seara

2 joint publications

Guillaume Stirnemann