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

Docking Result

CHEMBL1085598_dpp4

Atoms: 252
Models: 9
Best Energy: -5.178 kcal/mol

Binding Energies:
  • Pose 1: -5.178 kcal/mol
  • Pose 2: -5.163 kcal/mol
  • Pose 3: -4.917 kcal/mol
  • Pose 4: -4.846 kcal/mol
  • Pose 5: -4.781 kcal/mol
  • Pose 6: -4.759 kcal/mol
  • Pose 7: -4.749 kcal/mol
  • Pose 8: -4.742 kcal/mol
  • Pose 9: -4.647 kcal/mol
CHEMBL1085598_dpp4
Energy Plot
RMSD Scatter Plot