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

Docking Result

CHEMBL1688431_dpp4

Atoms: 234
Models: 9
Best Energy: -7.235 kcal/mol

Binding Energies:
  • Pose 1: -7.235 kcal/mol
  • Pose 2: -7.154 kcal/mol
  • Pose 3: -7.033 kcal/mol
  • Pose 4: -7.007 kcal/mol
  • Pose 5: -6.977 kcal/mol
  • Pose 6: -6.928 kcal/mol
  • Pose 7: -6.664 kcal/mol
  • Pose 8: -6.598 kcal/mol
  • Pose 9: -6.41 kcal/mol
CHEMBL1688431_dpp4
Energy Plot
RMSD Scatter Plot