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. 2021 Aug 31;7(4):341–354. doi: 10.52601/bpr.2021.200021

Table 5. Cluster results of conformations of three independent dockings for Pilsicainide, Bisphenol A and Mexiletine.

Pilsicainide Bisphenol A Mexiletine
Nc Ave. (kcal/mol) Min. (kcal/mol) Nc Ave. (kcal/mol) Min. (kcal/mol) Nc Ave. (kcal/mol) Min. (kcal/mol)
“C1”–“C10” demonstrate the 10 clusters, “Nc” is the number of conformations, “Ave.” is the average energy of all the conformations in the cluster, “Min.” is the lowest energy of all conformations of the cluster
C1 5 −120.39 −122.58 5 −120.51 −121.24 5 −119.79 −120.01
C2 4 −120.05 −122.05 4 −120.07 −120.64 4 −119.84 −120.81
C3 3 −119.35 −120.44 3 −120.55 −121.25 3 −120.38 −120.47
C4 3 −119.87 −120.48 3 −121.49 −121.98 3 −120.17 −120.21
C5 3 −119.44 −120.06 3 −120.72 −120.93 3 −120.70 −120.78
C6 3 −119.40 −122.64 3 −120.24 −121.80 2 −120.42 −120.57
C7 1 −119.74 −119.74 2 −120.13 −120.55 1 −119.74 −119.74
C8 2 −119.52 −119.94 1 −119.86 −119.86
C9 1 −121.41 −121.41 1 −119.50 −119.50
C10 1 −119.09 −119.09