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

Docking Result

CHEMBL2086593_dpp4

Atoms: 225
Models: 9
Best Energy: -7.084 kcal/mol

Binding Energies:
  • Pose 1: -7.084 kcal/mol
  • Pose 2: -6.982 kcal/mol
  • Pose 3: -6.975 kcal/mol
  • Pose 4: -6.8 kcal/mol
  • Pose 5: -6.755 kcal/mol
  • Pose 6: -6.716 kcal/mol
  • Pose 7: -6.63 kcal/mol
  • Pose 8: -6.532 kcal/mol
  • Pose 9: -6.517 kcal/mol
CHEMBL2086593_dpp4
Energy Plot
RMSD Scatter Plot