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

Docking Result

CHEMBL98008_dpp4

Atoms: 162
Models: 9
Best Energy: -6.47 kcal/mol

Binding Energies:
  • Pose 1: -6.47 kcal/mol
  • Pose 2: -6.38 kcal/mol
  • Pose 3: -6.343 kcal/mol
  • Pose 4: -6.308 kcal/mol
  • Pose 5: -6.194 kcal/mol
  • Pose 6: -6.111 kcal/mol
  • Pose 7: -6 kcal/mol
  • Pose 8: -5.853 kcal/mol
  • Pose 9: -5.788 kcal/mol
CHEMBL98008_dpp4
Energy Plot
RMSD Scatter Plot