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

Docking Result

CHEMBL2086599_dpp4

Atoms: 243
Models: 9
Best Energy: -7.547 kcal/mol

Binding Energies:
  • Pose 1: -7.547 kcal/mol
  • Pose 2: -7.179 kcal/mol
  • Pose 3: -7.136 kcal/mol
  • Pose 4: -7.067 kcal/mol
  • Pose 5: -6.847 kcal/mol
  • Pose 6: -6.827 kcal/mol
  • Pose 7: -6.778 kcal/mol
  • Pose 8: -6.721 kcal/mol
  • Pose 9: -6.664 kcal/mol
CHEMBL2086599_dpp4
Energy Plot
RMSD Scatter Plot