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

Docking Result

CHEMBL443250_dpp4

Atoms: 162
Models: 9
Best Energy: -6.431 kcal/mol

Binding Energies:
  • Pose 1: -6.431 kcal/mol
  • Pose 2: -6.404 kcal/mol
  • Pose 3: -6.395 kcal/mol
  • Pose 4: -6.352 kcal/mol
  • Pose 5: -6.326 kcal/mol
  • Pose 6: -6.179 kcal/mol
  • Pose 7: -6.099 kcal/mol
  • Pose 8: -6.089 kcal/mol
  • Pose 9: -6.067 kcal/mol
CHEMBL443250_dpp4
Energy Plot
RMSD Scatter Plot