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6 results in Authors: Élise Duboué-Dijon

Biological and Medicinal Chemistry

Working Paper

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

Philip E. Mason, Pavel Jungwirth, Elise Duboué-Dijon

Version 2 posted 07 May 2019

801

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Physical Chemistry

Working Paper

Binding of Divalent Cations to Aqueous Acetate: Molecular Simulations Guided by Raman Spectroscopy

Denilson Mendes de Oliveira, Samual R. Zukowski, Vladimir Palivec, Jérôme Hénin, Hector Martinez-Seara, Dor Ben-Amotz, Pavel Jungwirth, Elise Duboué-Dijon

Version 2 posted 29 September 2020

955

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Physical Chemistry

Working Paper

A consistent picture of phosphate–divalent cation binding from models with implicit and explicit electronic polarization

Julie Puyo, Marie Juillé, Jérôme Hénin, Carine Clavaguéra, Elise Duboué-Dijon

Version 2 posted 27 April 2022

374

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Biological and Medicinal Chemistry

Working Paper

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

Kryštof Březina, Elise Duboué-Dijon, Vladimír Palivec, Jiří Jiráček, Tomáš Křížek, Cristina M. Viola, Timothy R. Ganderton, Andrzej M. Brzozowski, Pavel Jungwirth

Version 1 posted 11 July 2018

447

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Theoretical and Computational Chemistry

Working Paper

Molecular origin of distinct hydration dynamics in double helical DNA and RNA sequences

Elisa Frezza, Damien Laage, Elise Duboué-Dijon

Version 2 posted 29 March 2024

256

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Theoretical and Computational Chemistry

Working Paper

Simulation-Guided Conformational Space Exploration to Assess Reactive Conformations of a Ribozyme

Sélène Forget, Marie Juillé, Élise Duboué-Dijon, Guillaume Stirnemann

Version 1 posted 08 March 2024

175

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6 results in Élise Duboué-Dijon in Authors: Élise Duboué-Dijon

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

Binding of Divalent Cations to Aqueous Acetate: Molecular Simulations Guided by Raman Spectroscopy

A consistent picture of phosphate–divalent cation binding from models with implicit and explicit electronic polarization

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

Molecular origin of distinct hydration dynamics in double helical DNA and RNA sequences

Simulation-Guided Conformational Space Exploration to Assess Reactive Conformations of a Ribozyme

6 results in Authors: Élise Duboué-Dijon