Table 5 Average values of RMSD, RG, SASA, H-bonds, and interaction energy for various protein–ligand complexes.

From: Identification of AChE targeted therapeutic compounds for Alzheimer’s disease: an in-silico study with DFT integration

Complex

Average RMSD (nm)

Average Rg (nm)

Average SASA (nm²)

H-bonds

Interaction energy (KJ/mol)

Native protein (AChE)

0.17 ± 0.01

1.96 ± 0.02

–

–

–

AChE-HOR (reference)

0.19 ± 0.01

1.97 ± 0.04

214.77 ± 2.34

3

− 150.666

AChE-Biflavanone

0.19 ± 0.01

1.97 ± 0.02

216.85 ± 3.68

3

− 200.272

AChE-Calomelanol J

0.20 ± 0.02

1.97 ± 0.04

215.04 ± 3.17

3

− 153.885

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