Angelica Mazzolari

19PUBLICATIONS
39CO-AUTHORS
Proteins and peptidesCheminformatics and quantitative structure-activity relationshipsProcess control and simulationBioinformatic methods developmentBiomolecular modelling and design
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Publications (19)

|Jan 28, 2026
PepScorer::RMSD: An Improved Machine Learning Scoring Function for Protein-Peptide Docking.

Andrea Giuseppe Cavalli, Giulio Vistoli, Alessandro Pedretti

|Dec 30, 2025
MetaQM: Exploring the Role of QM Calculations in Drug Metabolism Prediction.

Alessio Macorano, Serena Vittorio, Angelica Mazzolari

|Oct 21, 2025
Metabolite Identification Data in Drug Discovery, Part 2: Site-of-Metabolism Annotation, Analysis, and Exploration for Machine Learning.

Ya Chen, Susanne Winiwarter, Roxane Axel Jacob

|Aug 06, 2025
Site-of-Metabolism Prediction with Aleatoric and Epistemic Uncertainty Quantification.

Roxane Axel Jacob, Oliver Wieder, Ya Chen

|Jun 17, 2025
Automated Annotation of Sites of Metabolism from Biotransformation Data.

Roxane Axel Jacob, Angelica Mazzolari, Johannes Kirchmair

|Aug 27, 2024
An improved dataset of force fields, electronic and physicochemical descriptors of metabolic substrates.

Alessio Macorano, Angelica Mazzolari, Giuliano Malloci

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Frequent Collaborators

11 joint publications

Giulio Vistoli

10 joint publications

Alessandro Pedretti

6 joint publications

Johannes Kirchmair

3 joint publications

Silvia Gervasoni