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

Docking Result

CHEMBL450211_dpp4

Atoms: 180
Models: 9
Best Energy: -7.284 kcal/mol

Binding Energies:
  • Pose 1: -7.284 kcal/mol
  • Pose 2: -6.862 kcal/mol
  • Pose 3: -6.825 kcal/mol
  • Pose 4: -6.792 kcal/mol
  • Pose 5: -6.743 kcal/mol
  • Pose 6: -6.65 kcal/mol
  • Pose 7: -6.646 kcal/mol
  • Pose 8: -6.613 kcal/mol
  • Pose 9: -6.565 kcal/mol
CHEMBL450211_dpp4
Energy Plot
RMSD Scatter Plot