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

Docking Result

CHEMBL2086587_dpp4

Atoms: 216
Models: 9
Best Energy: -6.654 kcal/mol

Binding Energies:
  • Pose 1: -6.654 kcal/mol
  • Pose 2: -6.625 kcal/mol
  • Pose 3: -6.624 kcal/mol
  • Pose 4: -6.612 kcal/mol
  • Pose 5: -6.565 kcal/mol
  • Pose 6: -6.564 kcal/mol
  • Pose 7: -6.512 kcal/mol
  • Pose 8: -6.463 kcal/mol
  • Pose 9: -6.358 kcal/mol
CHEMBL2086587_dpp4
Energy Plot
RMSD Scatter Plot