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

Docking Result

CHEMBL3804854_dpp4

Atoms: 279
Models: 9
Best Energy: -9.038 kcal/mol

Binding Energies:
  • Pose 1: -9.038 kcal/mol
  • Pose 2: -8.777 kcal/mol
  • Pose 3: -8.325 kcal/mol
  • Pose 4: -8.274 kcal/mol
  • Pose 5: -8.129 kcal/mol
  • Pose 6: -8.004 kcal/mol
  • Pose 7: -7.915 kcal/mol
  • Pose 8: -7.906 kcal/mol
  • Pose 9: -7.899 kcal/mol
CHEMBL3804854_dpp4
Energy Plot
RMSD Scatter Plot