A benchmark driven guide to binding site comparison: An exhaustive evaluation using tailor-made data sets (ProSPECCTs)
Fig 9
Similarity score matrices for the Kahraman data set generated from the SiteHopper (left) and IsoMIF (right) results.
Both methods are able to find clusters of binding sites with identical ligands. The combination of both methods might even give rise to an improved differentiation. Similarity scores (tani) above 0.4 are colored green for the matrix obtained with IsoMIF. Similarity scores (PatchScore) above 0.65 are colored green for all SiteHopper-derived site alignments.