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Journal Articles
- 2024
[j9]Ya Chen
, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Giulio Vistoli, Thierry Langer, Filip Miljkovic, Johannes Kirchmair:
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation. J. Chem. Inf. Model. 64(2): 348-358 (2024)- 2022
- [j8]Thereza A. Soares, Ariane Nunes-Alves, Angelica Mazzolari, Fiorella Ruggiu, Guo-Wei Wei, Kenneth M. Merz Jr.:
The (Re)-Evolution of Quantitative Structure-Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods. J. Chem. Inf. Model. 62(22): 5317-5320 (2022) - 2021
- [j7]Alessandro Pedretti, Angelica Mazzolari, Silvia Gervasoni, Laura Fumagalli, Giulio Vistoli:
The VEGA suite of programs: an versatile platform for cheminformatics and drug design projects. Bioinform. 37(8): 1174-1175 (2021) - 2020
- [j6]Angelica Mazzolari, Ariane Nunes-Alves, Habibah A. Wahab, Rommie E. Amaro, Zoe Cournia, Kenneth M. Merz Jr.:
Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry. J. Chem. Inf. Model. 60(7): 3328-3330 (2020) - [j5]Ariane Nunes-Alves, Angelica Mazzolari, Kenneth M. Merz Jr.:
What Makes a Paper Be Highly Cited? 60 Years of the Journal of Chemical Information and Modeling. J. Chem. Inf. Model. 60(12): 5866-5867 (2020) - 2019
- [j4]Martin Sícho, Conrad Stork, Angelica Mazzolari, Christina de Bruyn Kops, Alessandro Pedretti, Bernard Testa, Giulio Vistoli, Daniel Svozil, Johannes Kirchmair:
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes. J. Chem. Inf. Model. 59(8): 3400-3412 (2019) - 2018
- [j3]Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli:
WarpEngine, a Flexible Platform for Distributed Computing Implemented in the VEGA Program and Specially Targeted for Virtual Screening Studies. J. Chem. Inf. Model. 58(6): 1154-1160 (2018) - 2017
- [j2]Giulio Vistoli, Angelica Mazzolari, Bernard Testa, Alessandro Pedretti:
Binding Space Concept: A New Approach To Enhance the Reliability of Docking Scores and Its Application to Predicting Butyrylcholinesterase Hydrolytic Activity. J. Chem. Inf. Model. 57(7): 1691-1702 (2017) - 2010
- [j1]Giulio Vistoli, Alessandro Pedretti, Angelica Mazzolari, Bernard Testa:
Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0. J. Comput. Aided Mol. Des. 24(9): 771-787 (2010)
Conference and Workshop Papers
- 2024
- [c1]Silvia Multari, Riza Özçelik, Angelica Mazzolari, Marco Salvatore Nobile, Francesca Grisoni:
Predicting Metabolic Reactions with a Molecular Transformer for Drug Design Optimization. CIBCB 2024: 1-8
Coauthor Index
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