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

Docking Result

CHEMBL234610_dpp4

Atoms: 171
Models: 9
Best Energy: -7.055 kcal/mol

Binding Energies:
  • Pose 1: -7.055 kcal/mol
  • Pose 2: -6.284 kcal/mol
  • Pose 3: -6.278 kcal/mol
  • Pose 4: -6.255 kcal/mol
  • Pose 5: -6.023 kcal/mol
  • Pose 6: -5.851 kcal/mol
  • Pose 7: -5.797 kcal/mol
  • Pose 8: -5.78 kcal/mol
  • Pose 9: -5.66 kcal/mol
CHEMBL234610_dpp4
Energy Plot
RMSD Scatter Plot