Free-energy calculations of the host-guest association in grafted supramolecular assemblies. - Ludovic Garnier; Christine Bonal; Patrice Malfreyt (J. Comput. Chem., 2020)

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)