| Dynamic docking: a paradigm shift in computational drug discovery D Gioia, M Bertazzo, M Recanatini, M Masetti, A Cavalli Molecules 22 (11), 2029, 2017 | 151 | 2017 |
| Predicting residence time and drug unbinding pathway through scaled molecular dynamics DA Schuetz, M Bernetti, M Bertazzo, D Musil, HM Eggenweiler, ... Journal of Chemical Information and Modeling 59 (1), 535-549, 2018 | 64 | 2018 |
| Data-driven molecular dynamics: a multifaceted challenge M Bernetti, M Bertazzo, M Masetti Pharmaceuticals 13 (9), 253, 2020 | 26 | 2020 |
| Machine learning and enhanced sampling simulations for computing the potential of mean force and standard binding free energy M Bertazzo, D Gobbo, S Decherchi, A Cavalli Journal of chemical theory and computation 17 (8), 5287-5300, 2021 | 22 | 2021 |
| Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations M Bertazzo, M Bernetti, M Recanatini, M Masetti, A Cavalli Journal of Chemical Information and Modeling 58 (2), 490-500, 2018 | 10 | 2018 |
| Probing the transport of Ni (II) ions through the internal tunnels of the Helicobacter pylori UreDFG multimeric protein complex M Masetti, M Bertazzo, M Recanatini, S Ciurli, F Musiani Journal of Inorganic Biochemistry 223, 111554, 2021 | 6 | 2021 |
| Probabilistic Pocket Druggability Prediction via One-Class Learning R Aguti, E Gardini, M Bertazzo, S Decherchi, A Cavalli Frontiers in Pharmacology 13, 870479, 2022 | 5 | 2022 |
| Dynamic Docking, Path Analysis and Free Energy Computation in Protein-Ligand Binding M Bertazzo alma, 2020 | | 2020 |
