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

Docking Result

CHEMBL397070_dpp4

Atoms: 171
Models: 9
Best Energy: -7.317 kcal/mol

Binding Energies:
  • Pose 1: -7.317 kcal/mol
  • Pose 2: -6.806 kcal/mol
  • Pose 3: -6.498 kcal/mol
  • Pose 4: -6.389 kcal/mol
  • Pose 5: -6.34 kcal/mol
  • Pose 6: -6.181 kcal/mol
  • Pose 7: -6.079 kcal/mol
  • Pose 8: -6.064 kcal/mol
  • Pose 9: -5.916 kcal/mol
CHEMBL397070_dpp4
Energy Plot
RMSD Scatter Plot