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

Docking Result

CHEMBL216253_dpp4

Atoms: 243
Models: 9
Best Energy: -8.106 kcal/mol

Binding Energies:
  • Pose 1: -8.106 kcal/mol
  • Pose 2: -8.06 kcal/mol
  • Pose 3: -7.751 kcal/mol
  • Pose 4: -7.659 kcal/mol
  • Pose 5: -7.641 kcal/mol
  • Pose 6: -7.598 kcal/mol
  • Pose 7: -7.495 kcal/mol
  • Pose 8: -7.347 kcal/mol
  • Pose 9: -7.308 kcal/mol
CHEMBL216253_dpp4
Energy Plot
RMSD Scatter Plot