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

Docking Result

CHEMBL5861052_dpp4

Atoms: 450
Models: 9
Best Energy: -10.002 kcal/mol

Binding Energies:
  • Pose 1: -10.002 kcal/mol
  • Pose 2: -9.971 kcal/mol
  • Pose 3: -9.89 kcal/mol
  • Pose 4: -9.873 kcal/mol
  • Pose 5: -9.871 kcal/mol
  • Pose 6: -9.862 kcal/mol
  • Pose 7: -9.828 kcal/mol
  • Pose 8: -9.79 kcal/mol
  • Pose 9: -9.554 kcal/mol
CHEMBL5861052_dpp4
Energy Plot
RMSD Scatter Plot