Table 4 |
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|
The docking energy detail of peptides |
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|
Peptide sequence |
U-ele (kcal/mol) |
U-vdw (kcal/mol) |
U-int (kcal/mol) |
Docking energy (kcal/mol) |
|
|
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|
GEKD |
- 76 |
- 10 |
- 61 |
-149 |
|
GERD |
- 56 |
- 10 |
- 50 |
-115 |
|
SERG |
- 62 |
- 9 |
- 44 |
-114 |
|
DDDD |
34 |
- 16 |
3 |
22 |
|
|
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|
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. |
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|
Yagi et al. BMC Bioinformatics 2007 8:11 doi:10.1186/1471-2105-8-11 |
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