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Journal of Chemical Information and Modeling|December 25, 2012
An automated docking protocol for hERG channel blockersGiovanni Paolo Di Martino, Matteo Masetti, Luisa Ceccarini, et al.Molecules (Basel, Switzerland)|July 1, 2020
Targeting the Protein Tunnels of the Urease Accessory Complex: A Theoretical InvestigationMatteo Masetti, Federico Falchi, Dario Gioia, et al.Journal of Chemical Information and Modeling|December 9, 2020
Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force FieldsRiccardo Ocello, Simone Furini, Francesca Lugli, et al.QRB Discovery|August 2, 2023
Computational drug discovery under RNA timesMattia Bernetti, Riccardo Aguti, Stefano Bosio, et al.Frontiers in Molecular Biosciences|August 1, 2022
Antibody-Antigen Binding Interface Analysis in the Big Data EraPedro B P S Reis, German P Barletta, Luca Gagliardi, et al.The Journal of Physical Chemistry. B|October 21, 2022
Modeling of the Electrostatic Interaction and Catalytic Activity of [NiFe] Hydrogenases on a Planar ElectrodeManuel Antonio Ruiz-Rodríguez, Christopher D Cooper, Walter Rocchia, et al.Molecules (Basel, Switzerland)|January 11, 2025
Bluues_cplx: Electrostatics at Protein-Protein and Protein-Ligand InterfacesMiguel Angel Soler, Rayyan Bassem Adel Yakout, Ozge Ozkilinc, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 24, 2006
Density functional studies on the Nazarov reaction involving cyclic systemsAndrea Cavalli, Matteo Masetti, Maurizio Recanatini, et al.Journal of Chemical Information and Modeling|September 11, 2015
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and ProteinsFrancesca Spyrakis, Paolo Benedetti, Sergio Decherchi, et al.Antioxidants (Basel, Switzerland)|September 28, 2023
Potent Antioxidant and Anti-Tyrosinase Activity of Butein and Homobutein Probed by Molecular Kinetic and Mechanistic StudiesWenkai Pan, Ilaria Giovanardi, Tomiris Sagynova, et al.Pageof 13