Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach. - Roberto Paciotti; Mariangela Agamennone; Cecilia Coletti; Loriano Storchi (J. Comput. Aided Mol. Des., 2020)

Multilayered Modelling of the Metallation of Biological Targets. - Iogann Tolbatov; Alessandro Marrone; Roberto Paciotti; Nazzareno Re; Cecilia Coletti (ICCSA (10), 2021)

Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study. - Mariangela Agamennone; Loriano Storchi; Alessandro Marrone; Roberto Paciotti (J. Comput. Aided Mol. Des., 2021)

The FMO2 analysis of the ligand-receptor binding energy: the Biscarbene-Gold(I)/DNA G-Quadruplex case study. - Roberto Paciotti; Cecilia Coletti; Alessandro Marrone; Nazzareno Re (J. Comput. Aided Mol. Des., 2022)

Improving the accuracy of the FMO binding affinity prediction of ligand-receptor complexes containing metals. - Roberto Paciotti; Alessandro Marrone; Cecilia Coletti; Nazzareno Re (J. Comput. Aided Mol. Des., 2023)