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

Docking Result

CHEMBL1650403_dpp4

Atoms: 225
Models: 9
Best Energy: -7.325 kcal/mol

Binding Energies:
  • Pose 1: -7.325 kcal/mol
  • Pose 2: -7.293 kcal/mol
  • Pose 3: -7.161 kcal/mol
  • Pose 4: -7.115 kcal/mol
  • Pose 5: -7.034 kcal/mol
  • Pose 6: -7.02 kcal/mol
  • Pose 7: -6.988 kcal/mol
  • Pose 8: -6.972 kcal/mol
  • Pose 9: -6.876 kcal/mol
CHEMBL1650403_dpp4
Energy Plot
RMSD Scatter Plot