SwissDock
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Swiss Institute of Bioinformatics
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Citing
Command-line
Tutorials
FAQ
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Don't know where to start?
Try with an example
Diclofenac
,
Propranolol
or
Nilotinib
.
1 - Enter a molecule in SMILES format
Hide the sketcher
No SMILES available?
Draw a molecule
using the sketcher
2 - Select a class of compounds
Please, select a class of compounds here:
-- select an option --
3 - Select compound library and screening method
2D
3D
2D & 3D
Put the mouse over a radio button to see the corresponding computation time
FP2
ECFP4
MHFP6
Pharmacophore
ErG
Scaffold
Generic Scaffold
Electroshape
E3FP
Combined
4 - Submit
Reset form
(Provide a query molecule, and select a compound library and a screening method before submitting)