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

Docking Result

CHEMBL471547_dpp4

Atoms: 180
Models: 9
Best Energy: -6.267 kcal/mol

Binding Energies:
  • Pose 1: -6.267 kcal/mol
  • Pose 2: -6.227 kcal/mol
  • Pose 3: -6.153 kcal/mol
  • Pose 4: -6.14 kcal/mol
  • Pose 5: -6.113 kcal/mol
  • Pose 6: -6.103 kcal/mol
  • Pose 7: -5.945 kcal/mol
  • Pose 8: -5.88 kcal/mol
  • Pose 9: -5.768 kcal/mol
CHEMBL471547_dpp4
Energy Plot
RMSD Scatter Plot