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

Docking Result

CHEMBL562072_dpp4

Atoms: 297
Models: 9
Best Energy: -8.787 kcal/mol

Binding Energies:
  • Pose 1: -8.787 kcal/mol
  • Pose 2: -8.561 kcal/mol
  • Pose 3: -8.437 kcal/mol
  • Pose 4: -8.204 kcal/mol
  • Pose 5: -8.024 kcal/mol
  • Pose 6: -8.023 kcal/mol
  • Pose 7: -7.959 kcal/mol
  • Pose 8: -7.879 kcal/mol
  • Pose 9: -7.78 kcal/mol
CHEMBL562072_dpp4
Energy Plot
RMSD Scatter Plot