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

Docking Result

CHEMBL6061748_dpp4

Atoms: 333
Models: 9
Best Energy: -9.205 kcal/mol

Binding Energies:
  • Pose 1: -9.205 kcal/mol
  • Pose 2: -9.117 kcal/mol
  • Pose 3: -9.068 kcal/mol
  • Pose 4: -9.048 kcal/mol
  • Pose 5: -8.806 kcal/mol
  • Pose 6: -8.612 kcal/mol
  • Pose 7: -8.558 kcal/mol
  • Pose 8: -8.478 kcal/mol
  • Pose 9: -8.34 kcal/mol
CHEMBL6061748_dpp4
Energy Plot
RMSD Scatter Plot