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Journal of the American Chemical Society|July 29, 2021
Ion Conduction Mechanism as a Fingerprint of Potassium ChannelsCarmen Domene, Riccardo Ocello, Matteo Masetti, et al.Journal of Computational Chemistry|March 27, 2002
Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: applications to the molecular systems and geometric objectsWalter Rocchia, Sundaram Sridharan, Anthony Nicholls, et al.The Journal of Physical Chemistry Letters|July 14, 2016
Atomic-Level Characterization of the Chain-Flipping Mechanism in Fatty-Acids BiosynthesisFrancesco Colizzi, Matteo Masetti, Maurizio Recanatini, et al.Plos One|November 8, 2012
Ion conduction through the hERG potassium channelLuisa Ceccarini, Matteo Masetti, Andrea Cavalli, et al.Journal of Chemical Information and Modeling|August 29, 2020
PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa CalculationsPedro B P S Reis, Diogo Vila-Viçosa, Walter Rocchia, et al.Scientific Reports|June 24, 2015
Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulationsLuca Mollica, Sergio Decherchi, Syeda Rehana Zia, et al.Communications in Computational Physics|March 23, 2013
Between algorithm and model: different Molecular Surface definitions for the Poisson-Boltzmann based electrostatic characterization of biomolecules in solutionSergio Decherchi, José Colmenares, Chiara Eva Catalano, et al.Journal of Medicinal Chemistry|January 26, 2016
Role of Molecular Dynamics and Related Methods in Drug DiscoveryMarco De Vivo, Matteo Masetti, Giovanni Bottegoni, et al.The Journal of Physical Chemistry. B|March 21, 2009
Exploring complex protein-ligand recognition mechanisms with coarse metadynamicsMatteo Masetti, Andrea Cavalli, Maurizio Recanatini, et al.Plos One|October 4, 2011
Substrate binding process and mechanistic functioning of type 1 11β-hydroxysteroid dehydrogenase from enhanced sampling methodsAngelo D Favia, Matteo Masetti, Maurizio Recanatini, et al.Pageof 13