MDVRY: a polarizable classical molecular dynamics package for biomolecules. - M. Souaille; H. Loirat; Daniel Borgis; Marie-Pierre Gaigeot (Comput. Phys. Commun., 2009)

MCMC2 : A Monte Carlo code for multiply-charged clusters. - David A. Bonhommeau; Marie-Pierre Gaigeot (Comput. Phys. Commun., 2013)

MDMC2: A molecular dynamics code for investigating the fragmentation dynamics of multiply charged clusters. - David A. Bonhommeau; Marie-Pierre Gaigeot (Comput. Phys. Commun., 2014)

MCMC2 (version 1.1): A Monte Carlo code for multiply-charged clusters. - David A. Bonhommeau; Marius Lewerenz; Marie-Pierre Gaigeot (Comput. Phys. Commun., 2014)

A New Graph Algorithm for the Analysis of Conformational Dynamics of Molecules. - Dominique Barth; Sana Bougueroua; Marie-Pierre Gaigeot; Franck Quessette; Riccardo Spezia; Sandrine Vial (ISCIS, 2015)

HiREX: High-Throughput Reactivity Exploration for Extended Databases of Transition-Metal Catalysts. - Ali Hashemi; Sana Bougueroua; Marie-Pierre Gaigeot; Evgeny Pidko (J. Chem. Inf. Model., 2023)