Comparative molecular field analysis of non-steroidal aromatase inhibitors related to fadrozole. - Maurizio Recanatini (J. Comput. Aided Mol. Des., 1996)

AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets. - Giovanni Bottegoni; Walter Rocchia; Maurizio Recanatini; Andrea Cavalli (ISMB (Supplement of Bioinformatics), 2006)

A Comparative Study on the Application of Hierarchical-Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs. - Giovanni Bottegoni; Andrea Cavalli; Maurizio Recanatini (J. Chem. Inf. Model., 2006)

Alpha7 nicotinic acetylcholine receptor agonists: Prediction of their binding affinity through a molecular mechanics Poisson-Boltzmann surface area approach. - Giovanni Grazioso; Andrea Cavalli; Marco De Amici; Maurizio Recanatini; Carlo De Micheli (J. Comput. Chem., 2008)

Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies. - Matteo Masetti; Andrea Cavalli; Maurizio Recanatini (J. Comput. Chem., 2008)

Mechanical Features of Plasmodium falciparum Acyl Carrier Protein in the Delivery of Substrates. - Francesco Colizzi; Maurizio Recanatini; Andrea Cavalli (J. Chem. Inf. Model., 2008)

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. - Matthias Negri; Maurizio Recanatini; Rolf W. Hartmann (J. Comput. Aided Mol. Des., 2011)

Collecting and Assessing Human Lactate Dehydrogenase-A Conformations for Structure-Based Virtual Screening. - Rosa Buonfiglio; Mariarosaria Ferraro; Federico Falchi; Andrea Cavalli; Matteo Masetti; Maurizio Recanatini (J. Chem. Inf. Model., 2013)

An Automated Docking Protocol for hERG Channel Blockers. - Giovanni Paolo Di Martino; Matteo Masetti; Luisa Ceccarini; Andrea Cavalli; Maurizio Recanatini (J. Chem. Inf. Model., 2013)

Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data. - Matteo Masetti; Francesco Musiani; Mattia Bernetti; Federico Falchi; Andrea Cavalli; Stefano Ciurli; Maurizio Recanatini (J. Comput. Chem., 2017)

Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO Inhibitors. - Mattia Bernetti; Elena Rosini; Luca Mollica; Matteo Masetti; Loredano Pollegioni; Maurizio Recanatini; Andrea Cavalli (J. Chem. Inf. Model., 2018)

Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations. - Martina Bertazzo; Mattia Bernetti; Maurizio Recanatini; Matteo Masetti; Andrea Cavalli (J. Chem. Inf. Model., 2018)

Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics. - Doris A. Schuetz; Mattia Bernetti; Martina Bertazzo; Djordje Musil; Hans-Michael Eggenweiler; Maurizio Recanatini; Matteo Masetti; Gerhard F. Ecker; Andrea Cavalli (J. Chem. Inf. Model., 2019)

Exploring Conformational Dynamics of the Extracellular Venus flytrap Domain of the GABAB Receptor: A Path-Metadynamics Study. - Linn S. M. Evenseth; Riccardo Ocello; Mari Gabrielsen; Matteo Masetti; Maurizio Recanatini; Ingebrigt Sylte; Andrea Cavalli (J. Chem. Inf. Model., 2020)

Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields. - Riccardo Ocello; Simone Furini; Francesca Lugli; Maurizio Recanatini; Carmen Domene; Matteo Masetti (J. Chem. Inf. Model., 2020)

Targeting the JAK/STAT Pathway: A Combined Ligand- and Target-Based Approach. - 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 (J. Chem. Inf. Model., 2021)