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. 2024 Sep 15;25(18):9964. doi: 10.3390/ijms25189964

Table 2.

The docking results of the esterase QeH to (R)/(S)-QE (measurement unit: kcal·mol−1).

Ligand Structure Docking Energy Mean Standard Deviation
(R)-QE 1 −9.26 −7.55 1.87
2 −9.17
3 −8.93
4 −8.87
5 −8.65
6 −8.54
7 −6.74
8 −6.18
9 −4.58
10 −4.57
(S)-QE 1 −8.79 −6.98 0.98
2 −8.29
3 −7.09
4 −7.04
5 −6.91
6 −6.89
7 −6.78
8 −6.67
9 −5.73
10 −5.60