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

Docking Result

CHEMBL488484_dpp4

Atoms: 216
Models: 9
Best Energy: -7.008 kcal/mol

Binding Energies:
  • Pose 1: -7.008 kcal/mol
  • Pose 2: -6.894 kcal/mol
  • Pose 3: -6.816 kcal/mol
  • Pose 4: -6.661 kcal/mol
  • Pose 5: -6.654 kcal/mol
  • Pose 6: -6.53 kcal/mol
  • Pose 7: -6.355 kcal/mol
  • Pose 8: -6.345 kcal/mol
  • Pose 9: -6.218 kcal/mol
CHEMBL488484_dpp4
Energy Plot
RMSD Scatter Plot