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

Docking Result

CHEMBL5794619_dpp4

Atoms: 333
Models: 9
Best Energy: -9.484 kcal/mol

Binding Energies:
  • Pose 1: -9.484 kcal/mol
  • Pose 2: -9.245 kcal/mol
  • Pose 3: -9.151 kcal/mol
  • Pose 4: -9.068 kcal/mol
  • Pose 5: -9.029 kcal/mol
  • Pose 6: -8.931 kcal/mol
  • Pose 7: -8.903 kcal/mol
  • Pose 8: -8.816 kcal/mol
  • Pose 9: -8.769 kcal/mol
CHEMBL5794619_dpp4
Energy Plot
RMSD Scatter Plot