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

Docking Result

CHEMBL5993572_dpp4

Atoms: 333
Models: 9
Best Energy: -9.777 kcal/mol

Binding Energies:
  • Pose 1: -9.777 kcal/mol
  • Pose 2: -9.089 kcal/mol
  • Pose 3: -8.992 kcal/mol
  • Pose 4: -8.944 kcal/mol
  • Pose 5: -8.868 kcal/mol
  • Pose 6: -8.827 kcal/mol
  • Pose 7: -8.743 kcal/mol
  • Pose 8: -8.737 kcal/mol
  • Pose 9: -8.373 kcal/mol
CHEMBL5993572_dpp4
Energy Plot
RMSD Scatter Plot