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Journal of Chemical Information and Modeling|February 9, 2012
Combining dyad protonation and active site plasticity in BACE-1 structure-based drug designPuneet Kacker, Matteo Masetti, Martina Mangold, et al.Journal of Chemical Theory and Computation|January 8, 2026
Role of Water Models in Simulations of Ion Conduction in Potassium ChannelsStefano Bosio, Diego Gazzoni, Carmen Domene, et al.Current Opinion in Structural Biology|April 30, 2024
Probing allosteric communication with combined molecular dynamics simulations and network analysisMattia Bernetti, Stefano Bosio, Veronica Bresciani, et al.Journal of Chemical Information and Modeling|January 30, 2018
Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics SimulationsMartina Bertazzo, Mattia Bernetti, Maurizio Recanatini, et al.Molecules (Basel, Switzerland)|November 23, 2017
Dynamic Docking: A Paradigm Shift in Computational Drug DiscoveryDario Gioia, Martina Bertazzo, Maurizio Recanatini, et al.Plos One|December 2, 2016
Mapping Cholesterol Interaction Sites on Serotonin Transporter through Coarse-Grained Molecular DynamicsMariarosaria Ferraro, Matteo Masetti, Maurizio Recanatini, et al.Journal of Chemical Information and Modeling|July 28, 2023
Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243Flavio Costa, Riccardo Ocello, Carlo Guardiani, et al.Journal of Inorganic Biochemistry|July 29, 2021
Probing the transport of Ni(II) ions through the internal tunnels of the Helicobacter pylori UreDFG multimeric protein complexMatteo Masetti, Martina Bertazzo, Maurizio Recanatini, et al.Proteins|July 29, 2014
Mechanistic insights into Pin1 peptidyl-prolyl cis-trans isomerization from umbrella sampling simulationsGiovanni Paolo Di Martino, Matteo Masetti, Andrea Cavalli, et al.Journal of Chemical Theory and Computation|August 23, 2019
An Integrated Markov State Model and Path Metadynamics Approach To Characterize Drug Binding ProcessesMattia Bernetti, Matteo Masetti, Maurizio Recanatini, et al.Pageof 13