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. 2022 Mar 10;29(5):3822–3829. doi: 10.1016/j.sjbs.2022.03.007

Table 3.

Binding energy scores isoetharine with Hepcidin/Docking Conformation score of isoetharine with Hepcidin.

Rank Pattern Sub Rank Run Binding Energy Cluster RMSD Reference RMSD
1 1 9 −4.7 0 34.23
2 1 8 −4.64 0 53.24
3 1 5 −4.61 0 36.35
4 1 1 −4.52 0 32.92
5 1 10 −4.28 0 49.63
6 1 4 −4.25 0 38.38
7 1 7 −3.94 0 41.82
8 1 3 −3.67 0 56.29
9 1 2 −3.56 0 34.18
10 1 6 −3.42 0 35.25