Rationalization of the pKa Values of Alcohols and Thiols Using Atomic Charge Descriptors and Its Application to the Prediction of Amino Acid pKa's. - Ilke Ugur; Antoine Marion; Stéphane Parant; Jan H. Jensen; Gerald Monard (J. Chem. Inf. Model., 2014)

Amber-Compatible Parametrization Procedure for Peptide-like Compounds: Application to 1, 4- and 1, 5-Substituted Triazole-Based Peptidomimetics. - Antoine Marion; Jerzy Góra; Oliver Kracker; Tanja Fröhr; Rafal Latajka; Norbert Sewald; Iris Antes (J. Chem. Inf. Model., 2018)

Semi-Empirical Born-Oppenheimer Molecular Dynamics (SEBOMD) within the Amber Biomolecular Package. - Antoine Marion; Hatice Gokcan; Gerald Monard (J. Chem. Inf. Model., 2019)