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

Docking Result

CHEMBL5407794_dpp4

Atoms: 234
Models: 9
Best Energy: -7.899 kcal/mol

Binding Energies:
  • Pose 1: -7.899 kcal/mol
  • Pose 2: -7.38 kcal/mol
  • Pose 3: -7.365 kcal/mol
  • Pose 4: -7.316 kcal/mol
  • Pose 5: -7.282 kcal/mol
  • Pose 6: -7.278 kcal/mol
  • Pose 7: -7.269 kcal/mol
  • Pose 8: -7.166 kcal/mol
  • Pose 9: -7.017 kcal/mol
CHEMBL5407794_dpp4
Energy Plot
RMSD Scatter Plot