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ORCIDAnna Vulpetti
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2020 – today
- 2024
[j9]Patrick Penner
, Anna Vulpetti:
QM assisted ML for 19F NMR chemical shift prediction. J. Comput. Aided Mol. Des. 38(1): 4 (2024)
2010 – 2019
- 2013
- [j8]Tuomo Kalliokoski, Tjelvar S. G. Olsson, Anna Vulpetti:
Subpocket Analysis Method for Fragment-Based Drug Discovery. J. Chem. Inf. Model. 53(1): 131-141 (2013) - 2011
- [j7]Gregory A. Landrum, Richard A. Lewis, Andrew Palmer, Nikolaus Stiefl, Anna Vulpetti:
Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma. J. Cheminformatics 3(S-1): 3 (2011) - 2010
- [j6]Francesca Milletti, Anna Vulpetti:
Tautomer Preference in PDB Complexes and its Impact on Structure-Based Drug Discovery. J. Chem. Inf. Model. 50(6): 1062-1074 (2010) - [j5]Francesca Milletti, Anna Vulpetti:
Predicting Polypharmacology by Binding Site Similarity: From Kinases to the Protein Universe. J. Chem. Inf. Model. 50(8): 1418-1431 (2010)
2000 – 2009
- 2005
- [j4]Anna Vulpetti, Patrizia Crivori, Alexander Cameron, Jay Bertrand, Maria Gabriella Brasca, Roberto D'Alessio, Paolo Pevarello:
Structure-Based Approaches to Improve Selectivity: CDK2-GSK3beta Binding Site Analysis. J. Chem. Inf. Model. 45(5): 1282-1290 (2005) - 2004
- [j3]Romano T. Kroemer, Anna Vulpetti, Joseph J. McDonald, Douglas C. Rohrer, Jean-Yves Trosset, Fabrizio Giordanetto, Simona Cotesta, Colin McMartin, Mats Kihlén, Pieter F. W. Stouten:
Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations. J. Chem. Inf. Model. 44(3): 871-881 (2004) - [j2]Fabrizio Giordanetto, Simona Cotesta, Cornel Catana, Jean-Yves Trosset, Anna Vulpetti, Pieter F. W. Stouten, Romano T. Kroemer:
Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms. J. Chem. Inf. Model. 44(3): 882-893 (2004)
1990 – 1999
- 1994
- [j1]Laura Belvisi, Gianpaolo Bravi, Carlo Scolastico, Anna Vulpetti, Aldo Salimbeni, Roberto Todeschini:
A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonists. J. Comput. Aided Mol. Des. 8(2): 211-220 (1994)
Coauthor Index
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