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

Docking Result

CHEMBL5402568_dpp4

Atoms: 333
Models: 9
Best Energy: -9.927 kcal/mol

Binding Energies:
  • Pose 1: -9.927 kcal/mol
  • Pose 2: -9.682 kcal/mol
  • Pose 3: -9.612 kcal/mol
  • Pose 4: -9.27 kcal/mol
  • Pose 5: -9.049 kcal/mol
  • Pose 6: -9.002 kcal/mol
  • Pose 7: -8.901 kcal/mol
  • Pose 8: -8.722 kcal/mol
  • Pose 9: -8.678 kcal/mol
CHEMBL5402568_dpp4
Energy Plot
RMSD Scatter Plot