Michel Masella

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 8

Top Topics

Preterm Infants

Molecular Dynamics Simulations

Top Venues

The Journal of chemical physics

The journal of physical chemistry. B

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Marion Roy, Rahma Dahmani, Valérie Vallet, Michel Masella
Early Steps in the O 2 Scavenger Process in the Aqueous Phase: Hydrazine vs DEHA. The journal of physical chemistry. A (2023)
Michel Masella, Fabien Léonforte
Chitosan Polysaccharides from a Polarizable Multiscale Approach. ACS omega 8 (39) (2023)
Luigi Genovese, William Dawson, Takahito Nakajima, Viviana Cristiglio, Valérie Vallet, Michel Masella
Protein-ligand interactions from a quantum fragmentation perspective: The case of the SARS-CoV-2 main protease interacting with α-ketoamide inhibitors. The Journal of chemical physics 158 (21) (2023)
Michel Masella, Alina Crudu, Fabien Léonforte
Hybrid polarizable simulations of a conventional hydrophobic polyelectrolyte. Toward a theoretical tool for green science innovation. The Journal of chemical physics 155 (11) (2021)
Céline Houriez, Florent Réal, Valérie Vallet, Michael Mautner, Michel Masella
Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution. The Journal of chemical physics 151 (17) (2019)
Florent Réal, Valérie Vallet, Michel Masella
Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and carboxylates in aqueous environment. Journal of computational chemistry 40 (11) (2019)
Céline Houriez, Valérie Vallet, Florent Réal, Michael Mautner, Michel Masella
Organic ion association in aqueous phase and ab initio-based force fields: The case of carboxylate/ammonium salts. The Journal of chemical physics 147 (16) (2018)
Céline Houriez, Michael Meot-Ner Mautner, Michel Masella
Solvation of the Guanidinium Ion in Pure Aqueous Environments: A Theoretical Study from an "Ab Initio"-Based Polarizable Force Field. The journal of physical chemistry. B 121 (50) (2017)