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

Docking Result

CHEMBL5401877_dpp4

Atoms: 342
Models: 9
Best Energy: -10.034 kcal/mol

Binding Energies:
  • Pose 1: -10.034 kcal/mol
  • Pose 2: -9.752 kcal/mol
  • Pose 3: -9.222 kcal/mol
  • Pose 4: -9.082 kcal/mol
  • Pose 5: -8.994 kcal/mol
  • Pose 6: -8.975 kcal/mol
  • Pose 7: -8.796 kcal/mol
  • Pose 8: -8.775 kcal/mol
  • Pose 9: -8.616 kcal/mol
CHEMBL5401877_dpp4
Energy Plot
RMSD Scatter Plot