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

Docking Result

CHEMBL5993878_dpp4

Atoms: 387
Models: 9
Best Energy: -9.269 kcal/mol

Binding Energies:
  • Pose 1: -9.269 kcal/mol
  • Pose 2: -9.216 kcal/mol
  • Pose 3: -8.965 kcal/mol
  • Pose 4: -8.816 kcal/mol
  • Pose 5: -8.784 kcal/mol
  • Pose 6: -8.664 kcal/mol
  • Pose 7: -8.652 kcal/mol
  • Pose 8: -8.438 kcal/mol
  • Pose 9: -8.212 kcal/mol
CHEMBL5993878_dpp4
Energy Plot
RMSD Scatter Plot