Skip to main content
. 2017 Aug 17;12(8):e0183041. doi: 10.1371/journal.pone.0183041

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,