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

Docking Result

CHEMBL98415_dpp4

Atoms: 198
Models: 9
Best Energy: -7.163 kcal/mol

Binding Energies:
  • Pose 1: -7.163 kcal/mol
  • Pose 2: -6.806 kcal/mol
  • Pose 3: -6.731 kcal/mol
  • Pose 4: -6.695 kcal/mol
  • Pose 5: -6.616 kcal/mol
  • Pose 6: -6.565 kcal/mol
  • Pose 7: -6.478 kcal/mol
  • Pose 8: -6.437 kcal/mol
  • Pose 9: -6.411 kcal/mol
CHEMBL98415_dpp4
Energy Plot
RMSD Scatter Plot