Screenscore - OpenEye Scientific Software

M.A.S.C.
Multiple Active Site Comparison
1. Pre-dock ligand into multiple reference active sites
2. Calculate score average and standard deviation in the reference sites
3. Correct score in actual docking runs with the following formula
• Reduces systematic biases in scoring functions
• Pre-dock calculations are expensive but only need to be done once
for a given database
• Can be used with any scoring function