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

Docking Result

CHEMBL329909_dpp4

Atoms: 198
Models: 9
Best Energy: -6.6 kcal/mol

Binding Energies:
  • Pose 1: -6.6 kcal/mol
  • Pose 2: -6.482 kcal/mol
  • Pose 3: -6.356 kcal/mol
  • Pose 4: -6.35 kcal/mol
  • Pose 5: -6.186 kcal/mol
  • Pose 6: -6.181 kcal/mol
  • Pose 7: -6.069 kcal/mol
  • Pose 8: -5.98 kcal/mol
  • Pose 9: -5.894 kcal/mol
CHEMBL329909_dpp4
Energy Plot
RMSD Scatter Plot