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Elise Duboué-Dijon

4PUBLICATIONS

6CO-AUTHORS

Theoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterChemical thermodynamics and energetics

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Publications (4)

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|Jul 09, 2021

Publisher's Note: "Building intuition for binding free energy calculations: Bound state definition, restraints, and symmetry" [J. Chem. Phys. 154, 204101 (2021)].

E Duboué-Dijon, J Hénin

|Jul 09, 2021

Building intuition for binding free energy calculations: Bound state definition, restraints, and symmetry.

E Duboué-Dijon, J Hénin

|Aug 11, 2020

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

E Duboué-Dijon, M Javanainen, P Delcroix

|Jun 17, 2018

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

Tomas Martinek, Elise Duboué-Dijon, Štěpán Timr

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Frequent Collaborators

2 joint publications

Pavel Jungwirth

2 joint publications

J Hénin

1 joint publications

M Javanainen

1 joint publications

P Delcroix

1 joint publications

H Martinez-Seara

1 joint publications

Henry E Fischer

Frequent Collaborators

2 joint publications

Pavel Jungwirth

2 joint publications

J Hénin

1 joint publications

M Javanainen

1 joint publications

P Delcroix

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