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. 2016 Jul 11;17(2):39–49. doi: 10.1007/s10969-016-9204-2

Fig. 1.

Fig. 1

Ligand-binding site prediction. a An example using the protein (streptavidin) and the ligand (biotin), PDBID: 1stp. b Placement of probes around the protein and calculation of interaction energies between probes and the protein. c Forming clusters of probes. d Ranking clusters. e Clusters of the top three ranking. Steps related to amino acid conservation are not shown