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
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]
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
Masetti, Matteo; Bernetti, Mattia; Cavalli, Andrea, Enhanced Molecular Dynamics Simulations of Intrinsically Disordered Proteins, in: Intrinsically Disordered Proteins, New York, NY, Humana, 2020, pp. 391 - 411 (METHODS IN MOLECULAR BIOLOGY) [Chapter or essay]
Evenseth, Linn S M; Ocello, Riccardo; Gabrielsen, Mari; Masetti, Matteo; Recanatini, Maurizio; Sylte, Ingebrigt; Cavalli, Andrea, Exploring Conformational Dynamics of the Extracellular Venus flytrap Domain of the GABAB Receptor: A Path-Metadynamics Study, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2020, 60, pp. 2294 - 2303 [Scientific article]Open Access
Masetti, Matteo; Falchi, Federico; Gioia, Dario; Recanatini, Maurizio; Ciurli, Stefano; Musiani, Francesco, Targeting the Protein Tunnels of the Urease Accessory Complex: A Theoretical Investigation, «MOLECULES», 2020, 25, Article number: 2911 , pp. 1 - 21 [Scientific article]Open Access
Bernetti M.; Masetti M.; Recanatini M.; Amaro R.E.; Cavalli A., An Integrated Markov State Model and Path Metadynamics Approach to Characterize Drug Binding Processes, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2019, 15, pp. 5689 - 5702 [Scientific article]
