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ORCIDMaurizio Recanatini
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2020 – today
- 2021
[j15]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
- [j14]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) - [j13]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
- [j12]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
- [j11]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) - [j10]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
- [j9]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
- [j8]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) - [j7]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) - 2011
- [j6]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): 795-811 (2011)
2000 – 2009
- 2008
- [j5]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) - [j4]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): 2593-2602 (2008) - [j3]Francesco Colizzi, Maurizio Recanatini, Andrea Cavalli:
Mechanical Features of Plasmodium falciparum Acyl Carrier Protein in the Delivery of Substrates. J. Chem. Inf. Model. 48(12): 2289-2293 (2008) - 2006
- [j2]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): 852-862 (2006) - [c1]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: 58-65
1990 – 1999
- 1996
- [j1]Maurizio Recanatini:
Comparative molecular field analysis of non-steroidal aromatase inhibitors related to fadrozole. J. Comput. Aided Mol. Des. 10(1): 74-82 (1996)
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