Anna Vulpetti

Orcid: 0000-0002-3114-8679

According to our database1, Anna Vulpetti authored at least 9 papers between 1994 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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PhD thesis 
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Bibliography

2024
QM assisted ML for <sup>19</sup>F NMR chemical shift prediction.
J. Comput. Aided Mol. Des., December, 2024

2013
Subpocket Analysis Method for Fragment-Based Drug Discovery.
J. Chem. Inf. Model., 2013

2011
Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma.
J. Cheminformatics, 2011

2010
Predicting Polypharmacology by Binding Site Similarity: From Kinases to the Protein Universe.
J. Chem. Inf. Model., 2010

Tautomer Preference in PDB Complexes and its Impact on Structure-Based Drug Discovery.
J. Chem. Inf. Model., 2010

2005
Structure-Based Approaches to Improve Selectivity: CDK2-GSK3beta Binding Site Analysis.
J. Chem. Inf. Model., 2005

2004
Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations.
J. Chem. Inf. Model., 2004

Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms.
J. Chem. Inf. Model., 2004

1994
A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonists.
J. Comput. Aided Mol. Des., 1994


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