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

Docking Result

CHEMBL5558252_dpp4

Atoms: 639
Models: 9
Best Energy: -11.317 kcal/mol

Binding Energies:
  • Pose 1: -11.317 kcal/mol
  • Pose 2: -10.891 kcal/mol
  • Pose 3: -10.641 kcal/mol
  • Pose 4: -10.636 kcal/mol
  • Pose 5: -10.61 kcal/mol
  • Pose 6: -10.368 kcal/mol
  • Pose 7: -10.268 kcal/mol
  • Pose 8: -10.028 kcal/mol
  • Pose 9: -9.8 kcal/mol
CHEMBL5558252_dpp4
Energy Plot
RMSD Scatter Plot