Search Results - "Anna Vulpetti"

Predicting Polypharmacology by Binding Site Similarity: From Kinases to the Protein Universe.

Authors: Francesca Milletti Anna Vulpetti

Source: Journal of Chemical Information & Modeling. Aug2010, Vol. 50 Issue 8, p1418-1431. 14p.

Subjects: Pharmacology, Binding sites, Protein kinases, Pharmaceutical industry, Enzyme inhibitors, Protein structure

Tautomer Preference in PDB Complexes and its Impact on Structure-Based Drug Discovery.

Authors: Francesca Milletti Anna Vulpetti

Source: Journal of Chemical Information & Modeling. Jun2010, Vol. 50 Issue 6, p1062-1074. 13p.

Subjects: Tautomerism, Drug development, Virtual reality, Binding sites, Protein structure, Molecular dynamics