Decoys: Difference between revisions
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Decoys are important for judging the performance of [[molecular docking]] algorithms. | 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 | For more information on preparation see | ||
Revision as of 05:02, 11 June 2015
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