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)

Structural Basis of the Biomolecular Action of Paddlewheel- and N-Heterocyclic-Carbene-Based Antitumor Metallodrugs: A Computational Perspective. - Iogann Tolbatov; Alessandro Marrone (ICCSA (Workshops 6), 2022)

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)

Potential Energy Surfaces for Noble Gas (Ar, Kr, Xe, Rn)-Propylene Oxide Systems: Analytical Formulation and Binding. - Federico Palazzetti; Cecilia Coletti; Alessandro Marrone; Fernando Pirani (Symmetry, 2022)

Computational Studies Unveiling the Mechanism of Action of Selected Pt-, Te-, Au-, Rh-, Ru-Based Drugs. - Iogann Tolbatov; Alessandro Marrone (ICCSA (1), 2023)

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)