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

Docking Result

CHEMBL474559_dpp4

Atoms: 306
Models: 9
Best Energy: -8.055 kcal/mol

Binding Energies:
  • Pose 1: -8.055 kcal/mol
  • Pose 2: -7.477 kcal/mol
  • Pose 3: -7.179 kcal/mol
  • Pose 4: -7.048 kcal/mol
  • Pose 5: -6.985 kcal/mol
  • Pose 6: -6.959 kcal/mol
  • Pose 7: -6.938 kcal/mol
  • Pose 8: -6.759 kcal/mol
  • Pose 9: -6.681 kcal/mol
CHEMBL474559_dpp4
Energy Plot
RMSD Scatter Plot