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The Journal of Chemical Physics
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May 15, 2025
Explicitly accounting for background charges in a fast multipole method to simulate periodically replicated non neutral microscopic systems
Bar Collignon, Michel Masella
ACS Omega
|
October 9, 2023
Chitosan Polysaccharides from a Polarizable Multiscale Approach
Michel Masella, Fabien Léonforté
The Journal of Chemical Physics
|
May 23, 2024
The multi-scale polarizable pseudo-particle solvent coarse-grained approach: From NaCl salt solutions to polyelectrolyte hydration
Michel Masella, Fabien Léonforté
The Journal of Chemical Physics
|
January 17, 2015
The fast multipole method and point dipole moment polarizable force fields
Jonathan P Coles, Michel Masella
Journal of Computational Chemistry
|
February 6, 2013
A multiscale coarse-grained polarizable solvent model for handling long tail bulk electrostatics
Michel Masella, Daniel Borgis, Philippe Cuniasse
Journal of Computational Chemistry
|
June 8, 2011
Combining a polarizable force-field and a coarse-grained polarizable solvent model. II. Accounting for hydrophobic effects
Michel Masella, Daniel Borgis, Philippe Cuniasse
Journal of Computational Chemistry
|
March 21, 2008
Combining a polarizable force-field and a coarse-grained polarizable solvent model: application to long dynamics simulations of bovine pancreatic trypsin inhibitor
Michel Masella, Daniel Borgis, Philippe Cuniasse
The Journal of Chemical Physics
|
October 5, 2010
Structural and atoms-in-molecules analysis of hydrogen-bond network around nitroxides in liquid water
Céline Houriez, Michel Masella, Nicolas Ferré
Journal of Computational Chemistry
|
February 1, 2019
Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and carboxylates in aqueous environment
Florent Réal, Valérie Vallet, Michel Masella
The Journal of Chemical Physics
|
September 23, 2021
Hybrid polarizable simulations of a conventional hydrophobic polyelectrolyte. Toward a theoretical tool for green science innovation
Michel Masella, Alina Crudu, Fabien Léonforté
Page
of 3
Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
May 15, 2025
Explicitly accounting for background charges in a fast multipole method to simulate periodically replicated non neutral microscopic systems
Bar Collignon, Michel Masella
ACS Omega
|
October 9, 2023
Chitosan Polysaccharides from a Polarizable Multiscale Approach
Michel Masella, Fabien Léonforté
The Journal of Chemical Physics
|
May 23, 2024
The multi-scale polarizable pseudo-particle solvent coarse-grained approach: From NaCl salt solutions to polyelectrolyte hydration
Michel Masella, Fabien Léonforté
The Journal of Chemical Physics
|
January 17, 2015
The fast multipole method and point dipole moment polarizable force fields
Jonathan P Coles, Michel Masella
Journal of Computational Chemistry
|
February 6, 2013
A multiscale coarse-grained polarizable solvent model for handling long tail bulk electrostatics
Michel Masella, Daniel Borgis, Philippe Cuniasse
Journal of Computational Chemistry
|
June 8, 2011
Combining a polarizable force-field and a coarse-grained polarizable solvent model. II. Accounting for hydrophobic effects
Michel Masella, Daniel Borgis, Philippe Cuniasse
Journal of Computational Chemistry
|
March 21, 2008
Combining a polarizable force-field and a coarse-grained polarizable solvent model: application to long dynamics simulations of bovine pancreatic trypsin inhibitor
Michel Masella, Daniel Borgis, Philippe Cuniasse
The Journal of Chemical Physics
|
October 5, 2010
Structural and atoms-in-molecules analysis of hydrogen-bond network around nitroxides in liquid water
Céline Houriez, Michel Masella, Nicolas Ferré
Journal of Computational Chemistry
|
February 1, 2019
Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and carboxylates in aqueous environment
Florent Réal, Valérie Vallet, Michel Masella
The Journal of Chemical Physics
|
September 23, 2021
Hybrid polarizable simulations of a conventional hydrophobic polyelectrolyte. Toward a theoretical tool for green science innovation
Michel Masella, Alina Crudu, Fabien Léonforté
Page
of 3