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. 2022 Apr 20;13(6):737–745. doi: 10.1039/d2md00053a

MMGBSA free energy estimate for serotonin binding.

Energy factors Average Standard deviation Std error of mean
VDWAALS −28.3725 3.65 0.10
EEL −73.55 28.24 0.81
EGB 72.95 23.61 0.68
ESURF −3.82 0.21 0.006
ΔGgas −101.9 27.60 0.80
ΔGsolv 69.12 23.60 0.68
ΔG (total) −32.80 6.05 0.17