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

Docking Result

CHEMBL5220415_dpp4

Atoms: 243
Models: 9
Best Energy: -7.059 kcal/mol

Binding Energies:
  • Pose 1: -7.059 kcal/mol
  • Pose 2: -6.663 kcal/mol
  • Pose 3: -6.584 kcal/mol
  • Pose 4: -6.562 kcal/mol
  • Pose 5: -6.553 kcal/mol
  • Pose 6: -6.543 kcal/mol
  • Pose 7: -6.524 kcal/mol
  • Pose 8: -6.342 kcal/mol
  • Pose 9: -6.281 kcal/mol
CHEMBL5220415_dpp4
Energy Plot
RMSD Scatter Plot