CATEGORY
3D
SOURCE
Commercial Open Source
DESCRIPTION
Scores docked structures using the Astex PLI scoring algorithm.
INPUTS
Input: Dataset of Molecules that are to be scored
Protein: the protein 3D structure in PDB format
OUTPUTS
A Dataset of Molecules with PLI scores added.
OPTIONS
ADDITIONAL INFO
More information about the PLI scoring function from Astex Pharmaceuticals can be found here.