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

Docking Result

CHEMBL403449_dpp4

Atoms: 243
Models: 9
Best Energy: -7.235 kcal/mol

Binding Energies:
  • Pose 1: -7.235 kcal/mol
  • Pose 2: -7.029 kcal/mol
  • Pose 3: -6.959 kcal/mol
  • Pose 4: -6.902 kcal/mol
  • Pose 5: -6.416 kcal/mol
  • Pose 6: -6.322 kcal/mol
  • Pose 7: -6.268 kcal/mol
  • Pose 8: -6.229 kcal/mol
  • Pose 9: -6.117 kcal/mol
CHEMBL403449_dpp4
Energy Plot
RMSD Scatter Plot