Desaphy2012Comparison_cx

[Daniel-Ibarrola]

Desaphy, Jérémy, Karima Azdimousa, Esther Kellenberger, and Didier Rognan. “Comparison and Druggability Prediction of Protein–Ligand Binding Sites from Pharmacophore-Annotated Cavity Shapes.” Journal of Chemical Information and Modeling 52, no. 8 (2012): 2287–99.

An approach to describe the cavity of a protein using pharmacophoric points is proposed. This method can be used to compare the binding sites of different proteins and measure the similarity as well as predict the druggability of a protein binding site.