Charly Empereur-mot

Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water Models Using Microscopic and Macroscopic Target Experimental Observables

• 2023

Mattia Perrone, Riccardo Capelli, Charly Empereur-mot, Ali Hassanali, Giovanni M. Pavan

Journal of Chemical & Engineering Data, pp. -

Screening Explorer – An Interactive Tool for the Analysis of Screening Results

• 2016

Charly Empereur-mot, Jean-François Zagury, Matthieu Montes

Journal of Chemical Information and Modeling, pp. -

Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization

• 2020

Charly Empereur-Mot, Luca Pesce, Giovanni Doni, Davide Bochicchio, Riccardo Capelli, Claudio Perego, Giovanni M. Pavan

ACS Omega, pp. -

Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG

• 2023

Charly Empereur-Mot, Kasper B. Pedersen, Riccardo Capelli, Martina Crippa, Cristina Caruso, Mattia Perrone, Paulo C. T. Souza, Siewert J. Marrink, Giovanni Maria Pavan

Journal of Chemical Information and Modeling, pp. -