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

Docking Result

CHEMBL5863092_dpp4

Atoms: 324
Models: 9
Best Energy: -9.232 kcal/mol

Binding Energies:
  • Pose 1: -9.232 kcal/mol
  • Pose 2: -9.03 kcal/mol
  • Pose 3: -9.007 kcal/mol
  • Pose 4: -8.994 kcal/mol
  • Pose 5: -8.929 kcal/mol
  • Pose 6: -8.848 kcal/mol
  • Pose 7: -8.818 kcal/mol
  • Pose 8: -8.598 kcal/mol
  • Pose 9: -8.313 kcal/mol
CHEMBL5863092_dpp4
Energy Plot
RMSD Scatter Plot