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

Docking Result

CHEMBL322904_dpp4

Atoms: 153
Models: 9
Best Energy: -6.795 kcal/mol

Binding Energies:
  • Pose 1: -6.795 kcal/mol
  • Pose 2: -6.744 kcal/mol
  • Pose 3: -6.69 kcal/mol
  • Pose 4: -6.635 kcal/mol
  • Pose 5: -6.514 kcal/mol
  • Pose 6: -6.437 kcal/mol
  • Pose 7: -6.224 kcal/mol
  • Pose 8: -6.172 kcal/mol
  • Pose 9: -6.152 kcal/mol
CHEMBL322904_dpp4
Energy Plot
RMSD Scatter Plot