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

Docking Result

CHEMBL1090_dpp4

Atoms: 216
Models: 9
Best Energy: -6.724 kcal/mol

Binding Energies:
  • Pose 1: -6.724 kcal/mol
  • Pose 2: -6.716 kcal/mol
  • Pose 3: -6.233 kcal/mol
  • Pose 4: -6.047 kcal/mol
  • Pose 5: -5.975 kcal/mol
  • Pose 6: -5.956 kcal/mol
  • Pose 7: -5.912 kcal/mol
  • Pose 8: -5.733 kcal/mol
  • Pose 9: -5.717 kcal/mol
CHEMBL1090_dpp4
Energy Plot
RMSD Scatter Plot