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

Docking Result

CHEMBL406219_dpp4

Atoms: 234
Models: 9
Best Energy: -7.544 kcal/mol

Binding Energies:
  • Pose 1: -7.544 kcal/mol
  • Pose 2: -7.185 kcal/mol
  • Pose 3: -7.017 kcal/mol
  • Pose 4: -6.919 kcal/mol
  • Pose 5: -6.895 kcal/mol
  • Pose 6: -6.807 kcal/mol
  • Pose 7: -6.793 kcal/mol
  • Pose 8: -6.741 kcal/mol
  • Pose 9: -6.623 kcal/mol
CHEMBL406219_dpp4
Energy Plot
RMSD Scatter Plot