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

Docking Result

CHEMBL228032_dpp4

Atoms: 297
Models: 9
Best Energy: -8.947 kcal/mol

Binding Energies:
  • Pose 1: -8.947 kcal/mol
  • Pose 2: -8.554 kcal/mol
  • Pose 3: -8.275 kcal/mol
  • Pose 4: -8.013 kcal/mol
  • Pose 5: -7.984 kcal/mol
  • Pose 6: -7.918 kcal/mol
  • Pose 7: -7.768 kcal/mol
  • Pose 8: -7.731 kcal/mol
  • Pose 9: -7.666 kcal/mol
CHEMBL228032_dpp4
Energy Plot
RMSD Scatter Plot