A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation. - David Adrian Saez; Esteban Vöhringer-Martinez (J. Comput. Aided Mol. Des., 2015)

Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions. - Oscar A. Douglas-Gallardo; David Adrian Saez; Stefan Vogt-Geisse; Esteban Vöhringer-Martinez (J. Comput. Chem., 2019)