MAZZOLARI, ANGELICA
MAZZOLARI, ANGELICA
Dipartimento di Scienze Farmaceutiche
FAME3R: an efficient, practical and reliable open-source tool for predicting phase 1 and phase 2 sites of metabolism
2026 R.A. Jacob, L. Gaskin, T. Seidel, Y. Chen, A. Mazzolari, J. Kirchmair
PepScorer::RMSD: an improved machine learning scoring function for protein–peptide docking
2026 A.G. Cavalli, G. Vistoli, A. Pedretti, L. Fumagalli, A. Mazzolari
Approaching Pharmacological Space: Events and Components
2025 G. Vistoli, C. Talarico, S. Vittorio, F. Lunghini, A. Mazzolari, A. Beccari, A. Pedretti
MetaQM: Exploring the Role of QM Calculations in Drug Metabolism Prediction
2025 A. Macorano, S. Vittorio, A. Mazzolari, A. Pedretti, G. Vistoli
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
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
Site-of-Metabolism Prediction with Aleatoric and Epistemic Uncertainty Quantification
2025 R.A. Jacob, O. Wieder, Y. Chen, A. Mazzolari, A. Bergner, K. Schleifer, J. Kirchmair
Automated Annotation of Sites of Metabolism from Biotransformation Data
2025 R.A. Jacob, A. Mazzolari, J. Kirchmair
Metabolite Identification Data in Drug Discovery, Part 2: Site-of-Metabolism Annotation, Analysis, and Exploration for Machine Learning
2025 Y. Chen, S. Winiwarter, R.A. Jacob, M. Ahlqvist, A. Mazzolari, F. Miljković, J. Kirchmair
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
Predicting Metabolic Reactions with a Molecular Transformer for Drug Design Optimization
2024 S. Multari, R. Özçelik, A. Mazzolari, M.S. Nobile, F. Grisoni
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
Obesity and Type 2 Diabetes: Adiposopathy as a Triggering Factor and Therapeutic Options
2023 A. Artasensi, A. Mazzolari, A. Pedretti, G. Vistoli, L. Fumagalli
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
Cyclo(His-Pro) Exerts Protective Carbonyl Quenching Effects through Its Open Histidine Containing Dipeptides
2022 L. Regazzoni, L. Fumagalli, A. Artasensi, S. Gervasoni, E. Gilardoni, A. Mazzolari, G. Aldini, G. Vistoli
Hempseed (Cannabis sativa) Peptide H3 (IGFLIIWV) Exerts Cholesterol-Lowering Effects in Human Hepatic Cell Line
2022 J. Li, C. Bollati, M. Bartolomei, A. Mazzolari, A. Arnoldi, G. Vistoli, C. Lammi
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
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
GLORYx : Prediction of the metabolites resulting from phase 1 and phase 2 biotransformations of xenobiotics
2021 C. de Bruyn Kops, M. Sicho, A. Mazzolari, J. Kirchmair