QM/MM Study of Human Transketolase: Thiamine Diphosphate Activation Mechanism and Complete Catalytic Cycle. - Lionel Nauton; Laurence Hecquet; Vincent Théry (J. Chem. Inf. Model., 2021)

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)