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

Docking Result

CHEMBL6143955_dpp4

Atoms: 333
Models: 9
Best Energy: -8.913 kcal/mol

Binding Energies:
  • Pose 1: -8.913 kcal/mol
  • Pose 2: -8.806 kcal/mol
  • Pose 3: -8.65 kcal/mol
  • Pose 4: -8.593 kcal/mol
  • Pose 5: -8.554 kcal/mol
  • Pose 6: -8.532 kcal/mol
  • Pose 7: -8.492 kcal/mol
  • Pose 8: -8.467 kcal/mol
  • Pose 9: -8.425 kcal/mol
CHEMBL6143955_dpp4
Energy Plot
RMSD Scatter Plot