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

Docking Result

CHEMBL550862_dpp4

Atoms: 288
Models: 9
Best Energy: -8.108 kcal/mol

Binding Energies:
  • Pose 1: -8.108 kcal/mol
  • Pose 2: -7.859 kcal/mol
  • Pose 3: -7.801 kcal/mol
  • Pose 4: -7.777 kcal/mol
  • Pose 5: -7.741 kcal/mol
  • Pose 6: -7.735 kcal/mol
  • Pose 7: -7.631 kcal/mol
  • Pose 8: -7.582 kcal/mol
  • Pose 9: -7.579 kcal/mol
CHEMBL550862_dpp4
Energy Plot
RMSD Scatter Plot