PEDRETTI, ALESSANDRO
PEDRETTI, ALESSANDRO
Dipartimento di Scienze Farmaceutiche
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 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
Ensemble of structure and ligand-based classification models for hERG liability profiling
2023 S. Vittorio, F. Lunghini, A. Pedretti, G. Vistoli, A.R. Beccari
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
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
The VEGA web service: multipurpose online tools for molecular modelling and docking analyses
2023 A. Pedretti, S. Vittorio, E. Sabato, G. Vistoli, A. Mazzolari
Obesity and Type 2 Diabetes: Adiposopathy as a Triggering Factor and Therapeutic Options
2023 A. Artasensi, A. Mazzolari, A. Pedretti, G. Vistoli, L. Fumagalli
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
VIRTCHEM: Dall’atomo all’impianto virtuale [VIRTCHEM: From the atom to the virtual plant]
2022 C. Pirola, A. Pedretti
The VIRTCHEM project: the virtual immersive education for chemistry and chemical engineering
2022 C. Pirola, A. Pedretti, C. Jolivalt, F. Arefikhonsari, L. Mika, P. Smejkal
Computational Insights into the Sequence-Activity Relationships of the NGF(1-14) Peptide by Molecular Dynamics Simulations
2022 S. Vittorio, C. Manelfi, S. Gervasoni, A.R. Beccari, A. Pedretti, G. Vistoli, C. Talarico
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
A multiscale approach to predict the binding mode of metallo beta-lactamase inhibitors
2021 S. Gervasoni, J. Spencer, P. Hinchliffe, A. Pedretti, F. Vairoletti, G. Mahler, A.J. Mulholland
MetaTREE, a novel database focused on metabolic trees, predicts an important detoxification mechanism : The glutathione conjugation
2021 A. Mazzolari, L. Sommaruga, A. Pedretti, G. Vistoli
Benzothiadiazole derivatives endowed with STAT3 inhibition
2021 A. Gelain, M. Mori, E. Gilardoni, L. Regazzoni, A. Pedretti, D. Colombo, G. Parkinson, A. Asai, F. Meneghetti, S. Villa
Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease
2021 C. Manelfi, J. Gossen, S. Gervasoni, C. Talarico, S. Albani, B. Joseph Philipp, F. Musiani, G. Vistoli, G. Rossetti, A. Rosario Beccari, A. Pedretti
MetaClass, a comprehensive classification system for predicting the occurrence of metabolic reactions based on the MetaQSAR database
2021 A. Mazzolari, A. Scaccabarozzi, G. Vistoli, A. Pedretti