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2020 – today
- 2024
[j13]Stefano Bosio, Mattia Bernetti
, Walter Rocchia, Matteo Masetti:
Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin. J. Chem. Inf. Model. 64(11): 4570-4586 (2024)- 2023
- [j12]Flavio Costa, Riccardo Ocello, Carlo Guardiani, Alberto Giacomello, Matteo Masetti:
Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243. J. Chem. Inf. Model. 63(15): 4888-4899 (2023) - 2021
- [j11]María Gálvez-Llompart, Riccardo Ocello, Laura Rullo, Serena Stamatakos, Irene Alessandrini, Riccardo Zanni, Iñaki Tuñón, Andrea Cavalli, Sanzio Candeletti, Matteo Masetti, Patrizia Romualdi, Maurizio Recanatini:
Targeting the JAK/STAT Pathway: A Combined Ligand- and Target-Based Approach. J. Chem. Inf. Model. 61(6): 3091-3108 (2021) - 2020
- [j10]Linn S. M. Evenseth, Riccardo Ocello, Mari Gabrielsen, Matteo Masetti, Maurizio Recanatini, Ingebrigt Sylte, Andrea Cavalli:
Exploring Conformational Dynamics of the Extracellular Venus flytrap Domain of the GABAB Receptor: A Path-Metadynamics Study. J. Chem. Inf. Model. 60(4): 2294-2303 (2020) - [j9]Riccardo Ocello, Simone Furini, Francesca Lugli, Maurizio Recanatini, Carmen Domene, Matteo Masetti:
Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields. J. Chem. Inf. Model. 60(12): 6532-6543 (2020)
2010 – 2019
- 2019
- [j8]Doris A. Schuetz, Mattia Bernetti, Martina Bertazzo, Djordje Musil, Hans-Michael Eggenweiler, Maurizio Recanatini, Matteo Masetti, Gerhard F. Ecker, Andrea Cavalli:
Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics. J. Chem. Inf. Model. 59(1): 535-549 (2019) - 2018
- [j7]Martina Bertazzo, Mattia Bernetti, Maurizio Recanatini, Matteo Masetti, Andrea Cavalli:
Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations. J. Chem. Inf. Model. 58(2): 490-500 (2018) - [j6]Mattia Bernetti, Elena Rosini, Luca Mollica, Matteo Masetti, Loredano Pollegioni, Maurizio Recanatini, Andrea Cavalli:
Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO Inhibitors. J. Chem. Inf. Model. 58(11): 2255-2265 (2018) - 2017
- [j5]Matteo Masetti, Francesco Musiani, Mattia Bernetti, Federico Falchi, Andrea Cavalli, Stefano Ciurli, Maurizio Recanatini:
Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data. J. Comput. Chem. 38(21): 1834-1843 (2017) - 2013
- [j4]Giovanni Paolo Di Martino, Matteo Masetti, Luisa Ceccarini, Andrea Cavalli, Maurizio Recanatini:
An Automated Docking Protocol for hERG Channel Blockers. J. Chem. Inf. Model. 53(1): 159-175 (2013) - [j3]Rosa Buonfiglio, Mariarosaria Ferraro, Federico Falchi, Andrea Cavalli, Matteo Masetti, Maurizio Recanatini:
Collecting and Assessing Human Lactate Dehydrogenase-A Conformations for Structure-Based Virtual Screening. J. Chem. Inf. Model. 53(11): 2792-2797 (2013) - 2012
- [j2]Puneet Kacker, Matteo Masetti, Martina Mangold, Giovanni Bottegoni, Andrea Cavalli:
Combining Dyad Protonation and Active Site Plasticity in BACE-1 Structure-Based Drug Design. J. Chem. Inf. Model. 52(5): 1079-1085 (2012)
2000 – 2009
- 2008
- [j1]Matteo Masetti, Andrea Cavalli, Maurizio Recanatini:
Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies. J. Comput. Chem. 29(5): 795-808 (2008)
Coauthor Index
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