Overview of the virtual screening benchmark.

<p>A target protein is provided in complex with a known small-molecule inhibitor acting at this protein interaction site. A collection of 2500 diverse “decoy” ligands have also been docked to this site. The benchmark entails scoring each of the 2501 complexes, and determining the rank of the native ligand relative to the decoy compounds. This experiment carried out for each of 18 non-redundant protein targets (<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0140359#pone.0140359.t001" target="_blank">Table 1</a>).