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

Docking Result

CHEMBL381806_dpp4

Atoms: 270
Models: 9
Best Energy: -8.067 kcal/mol

Binding Energies:
  • Pose 1: -8.067 kcal/mol
  • Pose 2: -7.978 kcal/mol
  • Pose 3: -7.963 kcal/mol
  • Pose 4: -7.922 kcal/mol
  • Pose 5: -7.877 kcal/mol
  • Pose 6: -7.824 kcal/mol
  • Pose 7: -7.81 kcal/mol
  • Pose 8: -7.664 kcal/mol
  • Pose 9: -7.661 kcal/mol
CHEMBL381806_dpp4
Energy Plot
RMSD Scatter Plot