Skip to main content

Table 3 The number of known ligands caught in the top 10, 20, and 40 highest-scoring compounds of each VS when docking with Vina only vs. Vina + LigGrep

From: LigGrep: a tool for filtering docked poses to improve virtual-screening hit rates

Protein Screen type Top 10 Top 20 Top 40
HsPARP1 Vina only 5/46 7/46 13/46
HsPARP1 Vina + LigGrep 7/46 11/46 19/46
HsPin1p Vina only 2/27 3/27 5/27
HsPin1p Vina + LigGrep 3/27 4/27 8/27
ScHxk2p Vina only 2/41 4/41 6/41
ScHxk2p Vina + LigGrep 4/41 6/41 7/41