CSM-lig
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Small-molecule affinity
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Single structure
Description
Protein/small-molecule complex - PDB format
Example:
2F0Z
Small-molecule ID (as in PDB)
Example:
ZMR
Canonical SMILES string of small-molecule
Example:
SMILES
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Multiple structures
Description
Protein/small-molecule complexes (as a .zip file).
Do not include directories in the .zip file.
File size limits
Example .zip file
Upload information file (tab-separated file)
Format
Files are
not
expected to have headers identifying the columns.
Important
Example .csv file
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