Free-Energy Simulations Support a Lipophilic Binding Route for Melatonin Receptors. - Gian Marco Elisi; Laura Scalvini; Alessio Lodola; Marco Mor; Silvia Rivara (J. Chem. Inf. Model., 2022)

Mechanistic Modeling of Monoglyceride Lipase Covalent Modification Elucidates the Role of Leaving Group Expulsion and Discriminates Inhibitors with High and Low Potency. - Francesca Galvani; Laura Scalvini; Silvia Rivara; Alessio Lodola; Marco Mor (J. Chem. Inf. Model., 2022)

Moving Towards Everything-as-a-Service: A Multiple Case Study in Manufacturing. - Laura Scalvini; Federico Adrodegari; Nicola Saccani (APMS (2), 2023)

Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. - Kemel Arafet; Laura Scalvini; Francesca Galvani; Sergio Martí; Vicent Moliner; Marco Mor; Alessio Lodola (J. Chem. Inf. Model., 2023)

Unbinding Kinetics of Muscarinic M3 Receptor Antagonists Explained by Metadynamics Simulations. - Francesca Galvani; Daniele Pala; Alberto Cuzzolin; Laura Scalvini; Alessio Lodola; Marco Mor; Andrea Rizzi (J. Chem. Inf. Model., 2023)

Molecular Determinants of EphA2 and EphB2 Antagonism Enable the Design of Ligands with Improved Selectivity. - Lorenzo Guidetti; Alfonso Zappia; Laura Scalvini; Francesca Romana Ferrari; Carmine Giorgio; Riccardo Castelli; Francesca Galvani; Federica Vacondio; Silvia Rivara; Marco Mor; Chiara Urbinati; Marco Rusnati; et al. (J. Chem. Inf. Model., 2023)

Barriers and Challenges Toward the Servitization of the Machinery Sector: Evidence from Theory and Practice. - Marco Ardolino; Roberto Sala; Laura Scalvini; Syed Kazam Sajjad; Federico Adrodegari; Giuditta Pezzotta (APMS (1), 2024)

JAK3 Inhibitors: Covalent and Noncovalent Interactions of a Cyanamide Group Investigated by Multiscale Free-Energy Simulations. - Laura Scalvini; Daniele Pala; Alberto Cuzzolin; Francesca Galvani; Alessio Lodola; Silvia Rivara; Marco Mor; Andrea Rizzi (J. Chem. Inf. Model., 2025)