Assessment
of the Available Scoring Functions
Their conclusion:
“The scoring functions perform well to discriminate
near-native from misdocked
conformations…
In
contrast, the prediction of binding affinities remains problematic for all of the scoring functions”.P.
Ferrara, H. Gohlke, D.J. Price, G. Klebe, C.L. Brooks III, Assessing Scoring Functions for Protein-Ligand Interactions, J. Med. Chem. 2004, 47, 3032
An assessment of nine scoring functions
commonly applied in docking using a set of 189 protein-ligand
complexes is presented.