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

Docking Result

CHEMBL5912775_dpp4

Atoms: 333
Models: 9
Best Energy: -9.415 kcal/mol

Binding Energies:
  • Pose 1: -9.415 kcal/mol
  • Pose 2: -9.366 kcal/mol
  • Pose 3: -9.212 kcal/mol
  • Pose 4: -9.019 kcal/mol
  • Pose 5: -8.705 kcal/mol
  • Pose 6: -8.598 kcal/mol
  • Pose 7: -8.564 kcal/mol
  • Pose 8: -8.515 kcal/mol
  • Pose 9: -8.422 kcal/mol
CHEMBL5912775_dpp4
Energy Plot
RMSD Scatter Plot