PubDock
Docking PubChem For Discovery
Currently with 958,256 ligands for 5 targets
Score Function
chemgauss3
oechemscore
plp
shapegauss
Target
1YC1
1YC3
1XP6
1YC4
1R1P
1QKT
Top ranked
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Use
SMARTS
[Example: c12ccccc1cccc2]
Can take a long time!
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