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

Docking Result

CHEMBL453918_dpp4

Atoms: 162
Models: 9
Best Energy: -6.83 kcal/mol

Binding Energies:
  • Pose 1: -6.83 kcal/mol
  • Pose 2: -6.587 kcal/mol
  • Pose 3: -6.26 kcal/mol
  • Pose 4: -6.223 kcal/mol
  • Pose 5: -6.197 kcal/mol
  • Pose 6: -6.074 kcal/mol
  • Pose 7: -6.038 kcal/mol
  • Pose 8: -6.024 kcal/mol
  • Pose 9: -5.815 kcal/mol
CHEMBL453918_dpp4
Energy Plot
RMSD Scatter Plot