Rinaldi F., Bernetti M., Bresciani V., Girotto S., Cavalli A., Dissecting the BRCA2 - RAD51 interaction by integrating computational and experimental biophysics, in: EMBO Practical Course Integrative modelling of protein interactions, 2023(atti di: EMBO Practical Course Integrative modelling of protein interactions, Izmir, 17/09/2023) [Poster]
Rinaldi F., Bernetti M., Bresciani V., Girotto S., Cavalli A., Elucidating the BRCA2 - RAD51 interaction by integrating computational and experimental biophysics, in: Società Chimica Italiana - Divisione di Chimica dei Sistemi Biologici, 2023, pp. 1 - 83 (atti di: Convegno Nazionale della Divisione di Chimica dei Sistemi Biologici, Milano, 27/09/2023) [Abstract]
Rinaldi F., Bernetti M., Bresciani V., Girotto S., Cavalli A., Integration of computational and experimental biophysics reveals novel insights on the BRCA2 - RAD51 interaction, in: EMBO Workshop: Computational structural biology, 2023(atti di: EMBO Workshop: Computational structural biology, Heidelberg, 06/12/2023) [Poster]
Aguti R.; Bernetti M.; Bosio S.; Decherchi S.; Cavalli A., On the allosteric puzzle and pocket crosstalk through computational means, «JOURNAL OF CHEMICAL PHYSICS ONLINE», 2023, 158, pp. 1 - 13 [Scientific article]
Bernetti M.; Aguti R.; Bosio S.; Recanatini M.; Masetti M.; Cavalli A., Computational drug discovery under RNA times, «QRB DISCOVERY», 2022, 3, pp. 1 - 10 [Scientific article]Open Access
Bernetti, Mattia; Bertazzo, Martina; Masetti, Matteo, Data-Driven Molecular Dynamics: A Multifaceted Challenge, «PHARMACEUTICALS», 2020, 13, Article number: 253 , pp. 1 - 26 [Scientific article]Open Access
Masetti, Matteo; Bernetti, Mattia; Cavalli, Andrea, Enhanced Molecular Dynamics Simulations of Intrinsically Disordered Proteins, in: Intrinsically Disordered Proteins, New York, NY, Humana, 2020, pp. 391 - 411 (METHODS IN MOLECULAR BIOLOGY) [Chapter or essay]
Bernetti M.; Masetti M.; Recanatini M.; Amaro R.E.; Cavalli A., An Integrated Markov State Model and Path Metadynamics Approach to Characterize Drug Binding Processes, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2019, 15, pp. 5689 - 5702 [Scientific article]
Bernetti M.; Masetti M.; Rocchia W.; Cavalli A., Kinetics of Drug Binding and Residence Time, «ANNUAL REVIEW OF PHYSICAL CHEMISTRY», 2019, 70, pp. 143 - 171 [Scientific article]
Schuetz, Doris A.; Bernetti, Mattia; Bertazzo, Martina; Musil, Djordje; Eggenweiler, Hans-Michael; Recanatini, Maurizio; Masetti, Matteo*; Ecker, Gerhard F.; Cavalli, Andrea, Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2019, 59, pp. 535 - 549 [Scientific article]
Bernetti, Mattia; Rosini, Elena; Mollica, Luca; Masetti, Matteo; Pollegioni, Loredano; Recanatini, Maurizio; Cavalli, Andrea, Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO Inhibitors, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2018, 58, pp. 2255 - 2265 [Scientific article]
Bertazzo, Martina; Bernetti, Mattia; Recanatini, Maurizio; Masetti, Matteo; Cavalli, Andrea, Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2018, 58, pp. 490-500 - 500 [Scientific article]
Masetti, Matteo; Musiani, Francesco; Bernetti, Mattia; Falchi, Federico; Cavalli, Andrea; Ciurli, Stefano; Recanatini, Maurizio, Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2017, 38, pp. 1834 - 1843 [Scientific article]
Bernetti, M.; Cavalli, A.; Mollica, L, Protein-ligand (un)binding kinetics as a new paradigm for drug discovery at the crossroad between experiments and modelling, «MEDCHEMCOMM», 2017, 8, pp. 534 - 550 [Scientific article]
Bernetti, Mattia; Masetti, Matteo; Pietrucci, Fabio; Blackledge, Martin; Jensen, Malene Ringkjobing; Recanatini, Maurizio; Mollica, Luca; Cavalli, Andrea, Structural and Kinetic Characterization of the Intrinsically Disordered Protein SeV NTAIL through Enhanced Sampling Simulations, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2017, 121, pp. 9572 - 9582 [Scientific article]
