PEDRETTI, ALESSANDRO
PEDRETTI, ALESSANDRO
Dipartimento di Scienze Farmaceutiche
Novel Method for Prioritizing Protein Binding Sites Using Pocket Analysis and MD Simulations
2025 A.D. Biswas, E. Sabato, S. Vittorio, P. Aletayeb, A. Pedretti, A. Mazzolari, C. Gratteri, A.R. Beccari, C. Talarico, G. Vistoli
Approaching Pharmacological Space: Events and Components
2025 G. Vistoli, C. Talarico, S. Vittorio, F. Lunghini, A. Mazzolari, A. Beccari, A. Pedretti
GENEOnet: statistical analysis supporting explainability and trustworthiness
2025 G. Bocchi, P. Frosini, A. Micheletti, A. Pedretti, C. Gratteri, F. Lunghini, A.R. Beccari, C. Talarico
GENEOnet: a breakthrough in protein binding pocket detection using group equivariant non-expansive operators
2025 G. Bocchi, P. Frosini, A. Micheletti, A. Pedretti, G. Palermo, D. Gadioli, C. Gratteri, F. Lunghini, A.D. Biswas, P.F.W. Stouten, A.R. Beccari, A. Fava, C. Talarico
Prediction of UGT-mediated phase II metabolism via ligand- and structure-based predictive models
2025 L. Bono, F. Lunghini, E. Sabato, A.D. Biswas, A. Mazzolari, A. Pedretti, A.R. Beccari, G. Vistoli, S. Vittorio
Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities
2024 S. Vittorio, F. Lunghini, P. Morerio, D. Gadioli, S. Orlandini, P. Silva, N. Jan Martinovic, A. Pedretti, D. Bonanni, A. Del Bue, G. Palermo, G. Vistoli, A.R. Beccari
An improved dataset of force fields, electronic and physicochemical descriptors of metabolic substrates
2024 A. Macorano, A. Mazzolari, G. Malloci, A. Pedretti, G. Vistoli, S. Gervasoni
DompeKeys: A set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases
2024 C. Manelfi, V. Tazzari, F. Lunghini, C. Cerchia, A. Fava, A. Pedretti, P.F.W. Stouten, G. Vistoli, A.R. Beccari
MUSA: A platform for data-intensive services in Edge-Cloud Continuum
2024 M. Anisetti, C.A. Ardagna, F. Berto, R. Bondaruc, E. Damiani, A. Pedretti, A. Pisati, M. Banzi, A. Retico
Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative
2024 S. Gervasoni, C. Manelfi, S. Adobati, C. Talarico, A.D. Biswas, A. Pedretti, G. Vistoli, A.R. Beccari
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation
2024 Y. Chen, T. Seidel, R.A. Jacob, S. Hirte, A. Mazzolari, A. Pedretti, G. Vistoli, T. Langer, F. Miljkovic, J. Kirchmair
A geometric XAI approach to protein pocket detection
2024 G. Bocchi, P. Frosini, A. Micheletti, A. Pedretti, G. Palermo, D. Gadioli, C. Gratteri, F. Lunghini, A.R. Beccari, A. Fava, C. Talarico
Obesity and Type 2 Diabetes: Adiposopathy as a Triggering Factor and Therapeutic Options
2023 A. Artasensi, A. Mazzolari, A. Pedretti, G. Vistoli, L. Fumagalli
A new paradigm for Artificial Intelligence based on Group Equivariant Non-Expansive Operators (GENEOs) applied to protein pocket detection
2023 G. Bocchi, A. Micheletti, P. Frosini, A. Pedretti, C. Gratteri, F. Lunghini, A.R. Beccari, C. Talarico
The VEGA web service: multipurpose online tools for molecular modelling and docking analyses
2023 A. Pedretti, S. Vittorio, E. Sabato, G. Vistoli, A. Mazzolari
MetaSpot: A General Approach for Recognizing the Reactive Atoms Undergoing Metabolic Reactions Based on the MetaQSAR Database
2023 A. Mazzolari, P. Perazzoni, E. Sabato, F. Lunghini, A.R. Beccari, G. Vistoli, A. Pedretti
Explainable Machine Learning based on Group Equivariant Non-Expansive Operators (GENEOs). Protein pocket detection: a case study
2023 G. Bocchi, A. Micheletti, P. Frosini, A. Pedretti, A.R. Beccari, F. Lunghini, C. Talarico, C. Gratteri
Ensemble of structure and ligand-based classification models for hERG liability profiling
2023 S. Vittorio, F. Lunghini, A. Pedretti, G. Vistoli, A.R. Beccari
Extensive Sampling of Molecular Dynamics Simulations to Identify Reliable Protein Structures for Optimized Virtual Screening Studies: The Case of the hTRPM8 Channel
2022 S. Gervasoni, C. Talarico, C. Manelfi, A. Pedretti, G. Vistoli, A.R. Beccari
Identification of novel potential B4GALT6 inhibitors through a large scale virtual screening
2022 C. Papotto, E. Sabato, D. Lecca, C. Matera, M. DE AMICI, A. Pedretti, C.M.L. Dallanoce, G. Vistoli