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

Docking Result

CHEMBL5914544_dpp4

Atoms: 396
Models: 9
Best Energy: -10.023 kcal/mol

Binding Energies:
  • Pose 1: -10.023 kcal/mol
  • Pose 2: -9.949 kcal/mol
  • Pose 3: -9.904 kcal/mol
  • Pose 4: -9.882 kcal/mol
  • Pose 5: -9.765 kcal/mol
  • Pose 6: -9.515 kcal/mol
  • Pose 7: -9.427 kcal/mol
  • Pose 8: -9.422 kcal/mol
  • Pose 9: -9.235 kcal/mol
CHEMBL5914544_dpp4
Energy Plot
RMSD Scatter Plot