PEDRETTI, ALESSANDRO
PEDRETTI, ALESSANDRO
Dipartimento di Scienze Farmaceutiche
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
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
The VEGA web service: multipurpose online tools for molecular modelling and docking analyses
2023 A. Pedretti, S. Vittorio, E. Sabato, G. Vistoli, A. Mazzolari
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
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
Ensemble of structure and ligand-based classification models for hERG liability profiling
2023 S. Vittorio, F. Lunghini, A. Pedretti, G. Vistoli, A.R. Beccari
Obesity and Type 2 Diabetes: Adiposopathy as a Triggering Factor and Therapeutic Options
2023 A. Artasensi, A. Mazzolari, A. Pedretti, G. Vistoli, L. Fumagalli
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
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
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
In-depth age and ale profiling of human albumin in heart failure : Ex vivo studies
2021 A. Altomare, G. Baron, M. Balbinot, A. Pedretti, B. Zoanni, M. Brioschi, P. Agostoni, M. Carini, C. Banfi, G. Aldini
Unraveling the interaction mechanism of a benzothiadiazole-2.2-dioxide derivative with STAT3 : towards novel direct inhibitors
2021 M. Mori, E. Gilardoni, L. Regazzoni, A. Pedretti, D. Colombo, G. Parkinson, A. Asai, G. Cazzaniga, F. Meneghetti, S. Villa, A. Gelain
Regioselective, Efficient and Sustainable Bromination Process for the Synthesis of the Antimicrobial Agent Bromiphen Bromide
2021 A. Artasensi, A. Pedretti, G. Vistoli, L. Fumagalli
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
The VEGA suite of programs: a versatile platform for cheminformatics and drug design projects
2021 A. Pedretti, A. Mazzolari, S. Gervasoni, L. Fumagalli, G. Vistoli