Table 3. Top scoring docking solutions of initial peptide library.
Peptides | Sequence | Global Energy | Attractive VdWa | Repulsive VdWa | ACEb | HBc |
---|---|---|---|---|---|---|
PEP43 | QGRHFWFFG | -169.01 | -59.81 | 2.04 | -33.66 | -6.85 |
PEP1 | FGQHFWGRF | -165.54 | -63.84 | 6.79 | -32.13 | -4.92 |
PEP48 | WGGHFNFRF | -162.81 | -61.98 | 1.68 | -35.5 | -3.13 |
PEP13 | GHQWFFGRG | -161.32 | -57.21 | 4.2 | -34.85 | -4.38 |
PEP14 | GHQWFRFGF | -160.11 | -56.37 | 3.91 | -40.5 | -4.1 |
aVanderwaals,
bAtomic Contact Energy,
cHydrogen Bond,