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. 2020 Sep 17;10(10):439. doi: 10.1007/s13205-020-02411-1

Table 3.

The ten top docked poses of 1IR3 and ellagic acid by PatchDock

Rank Solution number Global energy Attractive van der Waal forces Repulsive van der Waal forces Atomic contact energy (kcal/mol)
1 6 − 22.24 − 14.09 2.38 − 3.42
2 4 − 22.42 − 15.01 2.48 − 1.96
3 2 − 22.10 − 15.17 5.22 − 2.48
4 1 − 20.50 − 14.32 3.06 − 1.74
5 3 − 19.89 − 14.13 4.05 − 2.27
6 8 − 19.84 − 15.72 5.14 − 1.79
7 5 − 17.61 − 14.42 11.06 − 3.34
8 7 − 11.88 − 7.61 1.62 − 3.37
9 10 − 11.12 − 8.81 2.98 − 1.08
10 9 − 8.86 − 8.25 2.26 0.14