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

Docking Result

CHEMBL5559023_dpp4

Atoms: 477
Models: 9
Best Energy: -9.36 kcal/mol

Binding Energies:
  • Pose 1: -9.36 kcal/mol
  • Pose 2: -9.123 kcal/mol
  • Pose 3: -9.002 kcal/mol
  • Pose 4: -8.886 kcal/mol
  • Pose 5: -8.832 kcal/mol
  • Pose 6: -8.802 kcal/mol
  • Pose 7: -8.722 kcal/mol
  • Pose 8: -8.699 kcal/mol
  • Pose 9: -8.561 kcal/mol
CHEMBL5559023_dpp4
Energy Plot
RMSD Scatter Plot