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

Docking Result

CHEMBL5569691_dpp4

Atoms: 333
Models: 9
Best Energy: -8.971 kcal/mol

Binding Energies:
  • Pose 1: -8.971 kcal/mol
  • Pose 2: -8.96 kcal/mol
  • Pose 3: -8.798 kcal/mol
  • Pose 4: -8.762 kcal/mol
  • Pose 5: -8.714 kcal/mol
  • Pose 6: -8.656 kcal/mol
  • Pose 7: -8.645 kcal/mol
  • Pose 8: -8.632 kcal/mol
  • Pose 9: -8.562 kcal/mol
CHEMBL5569691_dpp4
Energy Plot
RMSD Scatter Plot