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

Docking Result

CHEMBL5859631_dpp4

Atoms: 387
Models: 9
Best Energy: -9.271 kcal/mol

Binding Energies:
  • Pose 1: -9.271 kcal/mol
  • Pose 2: -9.257 kcal/mol
  • Pose 3: -9.226 kcal/mol
  • Pose 4: -9.138 kcal/mol
  • Pose 5: -8.867 kcal/mol
  • Pose 6: -8.814 kcal/mol
  • Pose 7: -8.769 kcal/mol
  • Pose 8: -8.743 kcal/mol
  • Pose 9: -8.574 kcal/mol
CHEMBL5859631_dpp4
Energy Plot
RMSD Scatter Plot