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

Docking Result

CHEMBL5400525_dpp4

Atoms: 360
Models: 9
Best Energy: -9.941 kcal/mol

Binding Energies:
  • Pose 1: -9.941 kcal/mol
  • Pose 2: -9.639 kcal/mol
  • Pose 3: -9.21 kcal/mol
  • Pose 4: -9.178 kcal/mol
  • Pose 5: -8.966 kcal/mol
  • Pose 6: -8.885 kcal/mol
  • Pose 7: -8.806 kcal/mol
  • Pose 8: -8.361 kcal/mol
  • Pose 9: -8.25 kcal/mol
CHEMBL5400525_dpp4
Energy Plot
RMSD Scatter Plot