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. 2012 Jan 27;7(1):e30890. doi: 10.1371/journal.pone.0030890

Table 1. Clustering results obtained from flexible docking of withanone into TPX2-Aurora A complex.

Receptor No. of AutoDock clustersa , b Cluster rankb No. of structures in the cluster Lowest binding energy of cluster Energy range within cluster
1 3 −16.27 −16.27 to −14.95
TPX2-Aurora A complex 4 (10) 2 2 −15.65 −15.65 to −14.58
3 4 −15.61 −15.61 to −14.35
4 1 −14.63 −14.63 to −14.63
a

Number of GA runs are shown in parentheses.

b

Clustering is done with RMS tolerance of 5.0 Å.