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freebsd-ports/biology/prodigy-lig/pkg-descr

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PRODIGY-LIG (PROtein binDIng enerGY prediction - LIGands) is a structure-based
method for the prediction of binding affinity in protein-small ligand (such as
drugs or metabolites) complexes.
WWW: https://nestor.science.uu.nl/prodigy/lig