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. 2022 Aug 25:1–20. Online ahead of print. doi: 10.1007/s11030-022-10515-4

Table 2.

Predicted binding affinity and dissociation constant of the vaccine–receptor complex

Ligand Receptor Binding affinity, ΔG (kcal/mol) Dissociation constant, Kd (M)
Vaccine peptide 6NIG  − 13.7 2.4E−10
4G8A  − 23.3 3.9E−17
MR  − 10.1 8.1E−08
PstS1 6NIG  − 10.8 2.6E−08
4G8A  − 21.1 1.3E−15
MR  − 10.0 9.0E−08