Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator. - Alain Dequidt; Julien Devémy; Agílio A. H. Pádua (J. Chem. Inf. Model., 2016)

Probing Enzymatic PET Degradation: Molecular Dynamics Analysis of Cutinase Adsorption and Stability. - Mehdi Sahihi; Pierre Fayon; Lionel Nauton; Florent Goujon; Julien Devémy; Alain Dequidt; Patrice Hauret; Patrice Malfreyt (J. Chem. Inf. Model., 2024)