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. 2021 Apr 15;6(16):10975–10983. doi: 10.1021/acsomega.1c00798

Table 1. Values of Energy from the Binding Process of the Wild-Type TD with Isoleucine in the MD Simulation.

type of energy	value of energy (kcal/mol)
G_{_ele}	24.46 ± 15.98
G_{_vdW}	–22.28 ± 2.1
G_{_SA}	2.19 ± 16.1
G_gb	–17.7 ± 13.89
G_nonpolar	–20.47 ± 13.9
G_{_polar}	6.76 ± 4.11
G_{_binding}	–18.29 ± 3.95