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

Docking Result

CHEMBL480154_dpp4

Atoms: 270
Models: 9
Best Energy: -7.386 kcal/mol

Binding Energies:
  • Pose 1: -7.386 kcal/mol
  • Pose 2: -6.933 kcal/mol
  • Pose 3: -6.909 kcal/mol
  • Pose 4: -6.874 kcal/mol
  • Pose 5: -6.806 kcal/mol
  • Pose 6: -6.686 kcal/mol
  • Pose 7: -6.681 kcal/mol
  • Pose 8: -6.656 kcal/mol
  • Pose 9: -6.599 kcal/mol
CHEMBL480154_dpp4
Energy Plot
RMSD Scatter Plot