DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL390885_dpp4

Atoms: 270
Models: 9
Best Energy: -5.552 kcal/mol

Binding Energies:
  • Pose 1: -5.552 kcal/mol
  • Pose 2: -5.478 kcal/mol
  • Pose 3: -5.444 kcal/mol
  • Pose 4: -5.375 kcal/mol
  • Pose 5: -5.332 kcal/mol
  • Pose 6: -5.329 kcal/mol
  • Pose 7: -5.201 kcal/mol
  • Pose 8: -5.079 kcal/mol
  • Pose 9: -4.922 kcal/mol
CHEMBL390885_dpp4
Energy Plot
RMSD Scatter Plot