Unveiling the Atomic-Level Determinants of Acylase-Ligand Complexes: An Experimental and Computational Study. - Luca Mollica; Gianluca Conti; Loredano Pollegioni; Andrea Cavalli; Elena Rosini (J. Chem. Inf. Model., 2015)

Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO Inhibitors. - Mattia Bernetti; Elena Rosini; Luca Mollica; Matteo Masetti; Loredano Pollegioni; Maurizio Recanatini; Andrea Cavalli (J. Chem. Inf. Model., 2018)

Recognition Mechanisms between a Nanobody and Disordered Epitopes of the Human Prion Protein: An Integrative Molecular Dynamics Study. - Luca Mollica; Gabriele Giachin (J. Chem. Inf. Model., 2023)