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

Docking Result

CHEMBL5268418_dpp4

Atoms: 288
Models: 9
Best Energy: -8.815 kcal/mol

Binding Energies:
  • Pose 1: -8.815 kcal/mol
  • Pose 2: -8.34 kcal/mol
  • Pose 3: -7.965 kcal/mol
  • Pose 4: -7.917 kcal/mol
  • Pose 5: -7.886 kcal/mol
  • Pose 6: -7.83 kcal/mol
  • Pose 7: -7.751 kcal/mol
  • Pose 8: -7.552 kcal/mol
  • Pose 9: -7.508 kcal/mol
CHEMBL5268418_dpp4
Energy Plot
RMSD Scatter Plot