Tribello, Gareth A.; Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Armstrong, Blake I.; Arsiccio, Andrea; Aureli, Simone; Ballabio, Federico; Bernetti, Mattia; Bonati, Luigi; Brookes, Samuel G. H.; Brotzakis, Z. Faidon; Capelli, Riccardo; Ceriotti, Michele; Chan, Kam-Tung; Cossio, Pilar; Dasetty, Siva; Donadio, Davide; Ensing, Bernd; Ferguson, Andrew L.; Fraux, Guillaume; Gale, Julian D.; Gervasio, Francesco Luigi; Giorgino, Toni; Herringer, Nicholas S. M.; Hocky, Glen M.; Hoff, Samuel E.; Invernizzi, Michele; Languin-Cattoën, Olivier; Leone, Vanessa; Limongelli, Vittorio; Lopez-Acevedo, Olga; Marinelli, Fabrizio; Febrer Martinez, Pedro; Masetti, Matteo; Mehdi, Shams; Michaelides, Angelos; Murtada, Mhd Hussein; Parrinello, Michele; Piaggi, Pablo M.; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Pritchard, Claire; Raiteri, Paolo; Raniolo, Stefano; Rapetti, Daniele; Rizzi, Valerio; Rydzewski, Jakub; Salvalaglio, Matteo; Schran, Christoph; Seal, Aniruddha; Shayesteh, PLUMED Tutorials: A collaborative, community-driven learning ecosystem, «THE JOURNAL OF CHEMICAL PHYSICS», 2025, 162, pp. 1 - 14 [Scientific article]
Exertier, Cécile; Salerno, Alessandra; Antonelli, Lorenzo; Fiorillo, Annarita; Ocello, Riccardo; Seghetti, Francesca; Caciolla, Jessica; Uliassi, Elisa; Masetti, Matteo; Fiorentino, Eleonora; Orsini, Stefania; Di Muccio, Trentina; Ilari, Andrea; Bolognesi, Maria Laura, Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis, «JOURNAL OF MEDICINAL CHEMISTRY», 2024, 67, pp. 402 - 419 [Scientific article]Open Access
Silvestrini, Marion L.; Solazzo, Riccardo; Boral, Soumendu; Cocco, Melanie J.; Closson, Joseph D.; Masetti, Matteo; Gardner, Kevin H.; Chong, Lillian T., Gating residues govern ligand unbinding kinetics from the buried cavity in HIF‐2α PAS‐B, «PROTEIN SCIENCE», 2024, 33, pp. 1 - 15 [Scientific article]Open Access
Bernetti, Mattia; Bosio, Stefano; Bresciani, Veronica; Falchi, Federico; Masetti, Matteo, Probing allosteric communication with combined molecular dynamics simulations and network analysis, «CURRENT OPINION IN STRUCTURAL BIOLOGY», 2024, 86, pp. 1 - 10 [Scientific article]Open Access
Bosio, Stefano; Bernetti, Mattia; Rocchia, Walter; Masetti, Matteo, Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2024, 64, pp. 4570 - 4586 [Scientific article]
Costa, Flavio; Ocello, Riccardo; Guardiani, Carlo; Giacomello, Alberto; Masetti, Matteo, Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2023, 63, pp. 4888 - 4899 [Scientific article]Open Access
Pan W.; Giovanardi I.; Sagynova T.; Cariola A.; Bresciani V.; Masetti M.; Valgimigli L., Potent Antioxidant and Anti-Tyrosinase Activity of Butein and Homobutein Probed by Molecular Kinetic and Mechanistic Studies †, «ANTIOXIDANTS», 2023, 12, Article number: 1763 , pp. 1 - 18 [Scientific article]Open Access
Bernetti M.; Aguti R.; Bosio S.; Recanatini M.; Masetti M.; Cavalli A., Computational drug discovery under RNA times, «QRB DISCOVERY», 2022, 3, pp. 1 - 10 [Scientific article]Open Access
Aledavood, Elnaz; Selmi, Beatrice; Estarellas, Carolina; Masetti, Matteo; Luque, F. Javier, From Acid Activation Mechanisms of Proton Conduction to Design of Inhibitors of the M2 Proton Channel of Influenza A Virus, «FRONTIERS IN MOLECULAR BIOSCIENCES», 2022, 8, pp. 1 - 21 [Scientific article]Open Access
Simone Furini; Luca Maragliano; Matteo Masetti, Recent Advancements in Modeling and Simulations of Ion Channels, «FRONTIERS IN MOLECULAR BIOSCIENCES», 2022, 8, pp. 1 - 2 [Comment or similar]Open Access
Domene, C.; Ocello, R.; Masetti, M.; Furini, S., Ion Conduction Mechanism as a Fingerprint of Potassium Channels, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2021, 143, pp. 12181 - 12193 [Scientific article]Open Access
Masetti, Matteo; Bertazzo, Martina; Recanatini, Maurizio; Ciurli, Stefano; Musiani, Francesco, Probing the transport of Ni(II) ions through the internal tunnels of the Helicobacter pylori UreDFG multimeric protein complex, «JOURNAL OF INORGANIC BIOCHEMISTRY», 2021, 223, Article number: 111554 , pp. 1 - 7 [Scientific article]
Galvez-Llompart M.; Ocello R.; Rullo L.; Stamatakos S.; Alessandrini I.; Zanni R.; Tunon I.; Cavalli A.; Candeletti S.; Masetti M.; Romualdi P.; Recanatini M., Targeting the JAK/STAT Pathway: A Combined Ligand- And Target-Based Approach, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2021, 61, pp. 3091 - 3108 [Scientific article]Open Access
Ocello R.; Furini S.; Lugli F.; Recanatini M.; Domene C.; Masetti M., Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2020, 60, pp. 6532 - 6543 [Scientific article]Open Access
Bernetti, Mattia; Bertazzo, Martina; Masetti, Matteo, Data-Driven Molecular Dynamics: A Multifaceted Challenge, «PHARMACEUTICALS», 2020, 13, Article number: 253 , pp. 1 - 26 [Scientific article]Open Access
