Table 1 Binding free energy and energy value of each receptor-ligand complexes.

From: To investigate the mechanism of Yiwei Decoction in the treatment of premature ovarian insufficiency-related osteoporosis using transcriptomics, network pharmacology and molecular docking techniques

Receptor-ligand complex

Van der Waals (kJ mol−1)

Electrostatic potential energy (kJ mol−1)

Molecular mechanics/generalized born surface area (kJ mol−1)

Polar solvation energy (kJ mol−1)

Nonpolar solvation energy (kJ mol−1)

Molecular mechanical term energy (kJ mol−1)

Stigmasterol-ALB

− 27.80 ± 2.17

− 0.12 ± 0.70

− 16.20 ± 2.30

15.29 ± 1.19

− 3.57 ± 0.25

− 27.91 ± 2.42

Stigmasterol-KAT5

− 13.19 ± 1.4

− 0.05 ± 0.43

− 7.15 ± 0.91

7.83 ± 1.12

− 1.75 ± 0.25

− 13.23 ± 1.66

Stigmasterol-VCL

− 24.77 ± 2.01

− 3.47 ± 0.67

− 20.14 ± 2.11

11.36 ± 3.27

− 3.26 ± 0.29

− 28.24 ± 5.01

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