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

Docking Result

CHEMBL248788_dpp4

Atoms: 333
Models: 9
Best Energy: -8.677 kcal/mol

Binding Energies:
  • Pose 1: -8.677 kcal/mol
  • Pose 2: -8.663 kcal/mol
  • Pose 3: -8.655 kcal/mol
  • Pose 4: -8.632 kcal/mol
  • Pose 5: -8.624 kcal/mol
  • Pose 6: -8.596 kcal/mol
  • Pose 7: -8.566 kcal/mol
  • Pose 8: -8.557 kcal/mol
  • Pose 9: -8.47 kcal/mol
CHEMBL248788_dpp4
Energy Plot
RMSD Scatter Plot