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

Docking Result

CHEMBL1812734_dpp4

Atoms: 225
Models: 9
Best Energy: -7.992 kcal/mol

Binding Energies:
  • Pose 1: -7.992 kcal/mol
  • Pose 2: -7.36 kcal/mol
  • Pose 3: -7.299 kcal/mol
  • Pose 4: -7.072 kcal/mol
  • Pose 5: -7.02 kcal/mol
  • Pose 6: -6.962 kcal/mol
  • Pose 7: -6.754 kcal/mol
  • Pose 8: -6.699 kcal/mol
  • Pose 9: -6.554 kcal/mol
CHEMBL1812734_dpp4
Energy Plot
RMSD Scatter Plot