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

Docking Result

CHEMBL1688527_dpp4

Atoms: 234
Models: 9
Best Energy: -7.876 kcal/mol

Binding Energies:
  • Pose 1: -7.876 kcal/mol
  • Pose 2: -7.792 kcal/mol
  • Pose 3: -7.467 kcal/mol
  • Pose 4: -6.991 kcal/mol
  • Pose 5: -6.92 kcal/mol
  • Pose 6: -6.873 kcal/mol
  • Pose 7: -6.803 kcal/mol
  • Pose 8: -6.348 kcal/mol
  • Pose 9: -6.338 kcal/mol
CHEMBL1688527_dpp4
Energy Plot
RMSD Scatter Plot