Table 4.

The docking energy detail of peptides

Peptide sequence	U-ele (kcal/mol)	U-vdw (kcal/mol)	U-int (kcal/mol)	Docking energy (kcal/mol)
GEKD	- 76	- 10	- 61	-149
GERD	- 56	- 10	- 50	-115
SERG	- 62	- 9	- 44	-114
DDDD	34	- 16	3	22

U-ele = Electrostatic energies between target and ligand

U-vdw = Van der Waals energies

U-int = energy of the (flexible) ligand

The docking energy was calculated for the sum of three energy, electrostatic energies, van der Waals energies and energy of the (flexible) ligand. Each energy listed in the table was rounded off to the whole number.