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

Docking Result

CHEMBL515378_dpp4

Atoms: 261
Models: 9
Best Energy: -6.993 kcal/mol

Binding Energies:
  • Pose 1: -6.993 kcal/mol
  • Pose 2: -6.879 kcal/mol
  • Pose 3: -6.751 kcal/mol
  • Pose 4: -6.699 kcal/mol
  • Pose 5: -6.68 kcal/mol
  • Pose 6: -6.663 kcal/mol
  • Pose 7: -6.658 kcal/mol
  • Pose 8: -6.303 kcal/mol
  • Pose 9: -6.27 kcal/mol
CHEMBL515378_dpp4
Energy Plot
RMSD Scatter Plot