Mechanistic insights into protonation state as a critical factor in hFPPS enzyme inhibition. - David Fernández; Joaquín Ortega-Castro; Laura Mariño; Joan Perelló; Juan Frau (J. Comput. Aided Mol. Des., 2015)

A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-Synuclein. - Rafael Ramis; Joaquín Ortega-Castro; Rodrigo Casasnovas; Laura Mariño; Bartolomé Vilanova; Miquel Angel Mestre Adrover; Juan Frau (J. Chem. Inf. Model., 2019)