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

Docking Result

CHEMBL5438248_dpp4

Atoms: 333
Models: 9
Best Energy: -9.265 kcal/mol

Binding Energies:
  • Pose 1: -9.265 kcal/mol
  • Pose 2: -9.25 kcal/mol
  • Pose 3: -9.203 kcal/mol
  • Pose 4: -8.886 kcal/mol
  • Pose 5: -8.83 kcal/mol
  • Pose 6: -8.643 kcal/mol
  • Pose 7: -8.571 kcal/mol
  • Pose 8: -8.352 kcal/mol
  • Pose 9: -8.232 kcal/mol
CHEMBL5438248_dpp4
Energy Plot
RMSD Scatter Plot