Maurizio Recanatini

Publication Activity (10 Years)

Years Active: 1996-2021
Publications (10 Years): 7

Top Topics

Coloured Petri Nets

Virtual Screening

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

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) (2021)
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) (2020)
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) (2020)
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) (2019)
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) (2018)
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) (2018)
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) (2017)
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) (2013)
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) (2013)
Matthias Negri, Maurizio Recanatini, Rolf W. Hartmann
Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17β-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps. J. Comput. Aided Mol. Des. 25 (9) (2011)
Giovanni Grazioso, Andrea Cavalli, Marco De Amici, Maurizio Recanatini, Carlo De Micheli
Alpha7 nicotinic acetylcholine receptor agonists: Prediction of their binding affinity through a molecular mechanics Poisson-Boltzmann surface area approach. J. Comput. Chem. 29 (15) (2008)
Francesco Colizzi, Maurizio Recanatini, Andrea Cavalli
Acyl Carrier Protein in the Delivery of Substrates. J. Chem. Inf. Model. 48 (12) (2008)
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) (2008)
Giovanni Bottegoni, Andrea Cavalli, Maurizio Recanatini
A Comparative Study on the Application of Hierarchical-Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs. J. Chem. Inf. Model. 46 (2) (2006)
Giovanni Bottegoni, Walter Rocchia, Maurizio Recanatini, Andrea Cavalli
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets. ISMB (Supplement of Bioinformatics) (2006)
Maurizio Recanatini
Comparative molecular field analysis of non-steroidal aromatase inhibitors related to fadrozole. J. Comput. Aided Mol. Des. 10 (1) (1996)