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

Docking Result

CHEMBL5288974_dpp4

Atoms: 279
Models: 9
Best Energy: -8.575 kcal/mol

Binding Energies:
  • Pose 1: -8.575 kcal/mol
  • Pose 2: -8.35 kcal/mol
  • Pose 3: -7.979 kcal/mol
  • Pose 4: -7.954 kcal/mol
  • Pose 5: -7.822 kcal/mol
  • Pose 6: -7.705 kcal/mol
  • Pose 7: -7.671 kcal/mol
  • Pose 8: -7.597 kcal/mol
  • Pose 9: -7.526 kcal/mol
CHEMBL5288974_dpp4
Energy Plot
RMSD Scatter Plot