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Fig. 1 | Journal of Cheminformatics

Fig. 1

From: bSiteFinder, an improved protein-binding sites prediction server based on structural alignment: more accurate and less time-consuming

Fig. 1

Workflow of Optimized Multiple-Templates Clustering. Template (b) is mapped to query (a) by structural alignment to form query-template complex (c). Then, the template chain will be removed, and the ligand will be retained (d). After 20 times of structural alignments, the ligands in templates will be mapped to the query (e). The number of ligand geometric centers, which have a distance less than 3 Å from the certain ligand geometric center, is counted for each ligand (f). The ligand with the largest number is defined as the center of the Top1 binding site (g)

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