Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: Bimetallic binding site and structured waters. - Nohad Gresh; Krystel El Hage; David Perahia; Jean-Philip Piquemal; Catherine Berthomieu; Dorothée Berthomieu (J. Comput. Chem., 2014)

Intermolecular interactions of the extended recognition site of VIM-2 metallo-β-lactamase with 1, 2, 4-triazole-3-thione inhibitors. Validations of a polarizable molecular mechanics potential by ab initio QC. - Karolina Kwapien; Laurent Gavara; Jean-Denis Docquier; Dorothée Berthomieu; Jean-François Hernandez; Nohad Gresh (J. Comput. Chem., 2021)

Fast vibrational analysis of molecular systems. - Hugo Petitjean; Aude Giard; Jean-Pierre Flament; Catherine Berthomieu; Dorothée Berthomieu (J. Comput. Chem., 2024)