| Characterization of the local structure in liquid water by various order parameters E Duboué-Dijon, D Laage The Journal of Physical Chemistry B 119 (26), 8406-8418, 2015 | 190 | 2015 |
| Biomolecular hydration dynamics: a jump model perspective AC Fogarty, E Duboué-Dijon, F Sterpone, JT Hynes, D Laage Chemical Society Reviews 42 (13), 5672-5683, 2013 | 127 | 2013 |
| Dynamical disorder in the DNA hydration shell E Duboué-Dijon, AC Fogarty, JT Hynes, D Laage Journal of the American Chemical Society 138 (24), 7610-7620, 2016 | 122 | 2016 |
| Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering T Martinek, E Duboué-Dijon, Š Timr, M Philip E., K Baxová, F Henry E., ... Journal of Chemical Physics 148, 222813, 2018 | 97 | 2018 |
| Hydration and Ion Pairing in Aqueous Mg2+ and Zn2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular … E Duboué-Dijon, PE Mason, HE Fischer, P Jungwirth The Journal of Physical Chemistry B 122 (13), 3296-3306, 2017 | 96 | 2017 |
| A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization E Duboue-Dijon, M Javanainen, P Delcroix, P Jungwirth, ... The Journal of Chemical Physics 153 (5), 2020 | 87 | 2020 |
| Comparative study of hydration shell dynamics around a hyperactive antifreeze protein and around ubiquitin E Duboué-Dijon, D Laage The Journal of chemical physics 141 (22), 2014 | 59 | 2014 |
| Binding of divalent cations to insulin: capillary electrophoresis and molecular simulations E Duboué-Dijon, P Delcroix, H Martinez-Seara, J Hladílková, P Coufal, ... The Journal of Physical Chemistry B 122 (21), 5640-5648, 2018 | 52 | 2018 |
| Origins of the non-exponential reorientation dynamics of nanoconfined water AC Fogarty, E Duboué-Dijon, D Laage, WH Thompson The Journal of Chemical Physics 141 (18), 2014 | 50 | 2014 |
| Temperature dependence of hydrophobic hydration dynamics: From retardation to acceleration E Duboué-Dijon, AC Fogarty, D Laage The Journal of Physical Chemistry B 118 (6), 1574-1583, 2014 | 48 | 2014 |
| Binding of Divalent Cations to Acetate: Molecular Simulations Guided by Raman Spectroscopy. D Mendes de Oliveira, SR Zukowski, V Palivec, J Hénin, ... Physical Chemistry Chemical Physics: PCCP 22 (41), 24014-24027, 2020 | 38* | 2020 |
| Can arginine inhibit insulin aggregation? A combined protein crystallography, capillary electrophoresis, and molecular simulation study K Březina, E Duboué-Dijon, V Palivec, J Jiráček, T Křížek, CM Viola, ... The Journal of Physical Chemistry B 122 (44), 10069-10076, 2018 | 31 | 2018 |
| Building intuition for binding free energy calculations: Bound state definition, restraints, and symmetry E Duboué-Dijon, J Hénin The Journal of Chemical Physics 154 (20), 2021 | 28 | 2021 |
| Ab Initio Simulations of Water Dynamics in Aqueous TMAO Solutions: Temperature and Concentration Effects G Stirnemann, E Duboué-Dijon, D Laage Journal of Physical Chemistry B, DOI: 10.1021/acs.jpcb.7b09989, 2017 | 27 | 2017 |
| Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations E Duboué-Dijon, PE Mason, HE Fischer, P Jungwirth The Journal of Chemical Physics 146 (18), 2017 | 19 | 2017 |
| Quantifying the strength of a salt bridge by neutron scattering and molecular dynamics PE Mason, P Jungwirth, E Duboué-Dijon The journal of physical chemistry letters 10 (12), 3254-3259, 2019 | 18 | 2019 |
| Coupled valence-bond state molecular dynamics description of an enzyme-catalyzed reaction in a non-aqueous organic solvent E Duboué-Dijon, E Pluhařová, D Domin, K Sen, AC Fogarty, N Chéron, ... The Journal of Physical Chemistry B 121 (29), 7027-7041, 2017 | 13 | 2017 |
| Consistent Picture of Phosphate–Divalent Cation Binding from Models with Implicit and Explicit Electronic Polarization J Puyo-Fourtine, M Juillé, J Hénin, C Clavaguéra, E Duboué-Dijon The Journal of Physical Chemistry B 126 (22), 4022-4034, 2022 | 3 | 2022 |
| Simulation-Guided Conformational Space Exploration to Assess Reactive Conformations of a Ribozyme S Forget, M Juillé, E Duboué-Dijon, G Stirnemann | | 2024 |
| Molecular origin of distinct hydration dynamics in double helical DNA and RNA sequences E Frezza, D Laage, E Duboué-Dijon | | 2024 |
Damien LaageEcole Normale Supérieure - PSL Univ - Sorbonne Univ - CNRSVerified email at ens.fr
