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

Docking Result

CHEMBL5558218_dpp4

Atoms: 486
Models: 9
Best Energy: -8.776 kcal/mol

Binding Energies:
  • Pose 1: -8.776 kcal/mol
  • Pose 2: -8.713 kcal/mol
  • Pose 3: -8.687 kcal/mol
  • Pose 4: -8.535 kcal/mol
  • Pose 5: -8.487 kcal/mol
  • Pose 6: -8.39 kcal/mol
  • Pose 7: -8.372 kcal/mol
  • Pose 8: -8.337 kcal/mol
  • Pose 9: -8.254 kcal/mol
CHEMBL5558218_dpp4
Energy Plot
RMSD Scatter Plot