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

Docking Result

CHEMBL2086614_dpp4

Atoms: 234
Models: 9
Best Energy: -8.022 kcal/mol

Binding Energies:
  • Pose 1: -8.022 kcal/mol
  • Pose 2: -7.66 kcal/mol
  • Pose 3: -7.456 kcal/mol
  • Pose 4: -7.402 kcal/mol
  • Pose 5: -7.376 kcal/mol
  • Pose 6: -7.323 kcal/mol
  • Pose 7: -7.291 kcal/mol
  • Pose 8: -7.024 kcal/mol
  • Pose 9: -6.945 kcal/mol
CHEMBL2086614_dpp4
Energy Plot
RMSD Scatter Plot