Difference between revisions of "Decoys"

From DISI
Jump to: navigation, search
(asdf)
Line 3: Line 3:
 
Decoys are important for judging the performance of [[molecular docking]] algorithms.  
 
Decoys are important for judging the performance of [[molecular docking]] algorithms.  
  
The [[DUD database]] is a free directory of useful decoys for [[virtual screening]].
+
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 22:02, 10 June 2015

Decoys are...

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

Automated_Database_Preparation#Automatic_Decoy_Generation