Decoys
Jump to navigation
Jump to search
Decoys are important for judging the performance of molecular docking algorithms.
If you want decoys for a molecule in ZINC, say 556, use
http://band.desktop.ucsf.bkslab.org:8088/substances/ZINC000000000556/decoys/3D.sdf
DUDE is a free directory of useful decoys for virtual screening.
For more information on preparation see