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

Docking Result

CHEMBL6020708_dpp4

Atoms: 306
Models: 9
Best Energy: -9.161 kcal/mol

Binding Energies:
  • Pose 1: -9.161 kcal/mol
  • Pose 2: -9.05 kcal/mol
  • Pose 3: -8.848 kcal/mol
  • Pose 4: -8.647 kcal/mol
  • Pose 5: -8.593 kcal/mol
  • Pose 6: -8.541 kcal/mol
  • Pose 7: -8.498 kcal/mol
  • Pose 8: -8.471 kcal/mol
  • Pose 9: -8.364 kcal/mol
CHEMBL6020708_dpp4
Energy Plot
RMSD Scatter Plot