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

Docking Result

CHEMBL234429_dpp4

Atoms: 225
Models: 9
Best Energy: -6.848 kcal/mol

Binding Energies:
  • Pose 1: -6.848 kcal/mol
  • Pose 2: -6.756 kcal/mol
  • Pose 3: -6.29 kcal/mol
  • Pose 4: -6.222 kcal/mol
  • Pose 5: -6.175 kcal/mol
  • Pose 6: -6.17 kcal/mol
  • Pose 7: -6.117 kcal/mol
  • Pose 8: -6.093 kcal/mol
  • Pose 9: -5.983 kcal/mol
CHEMBL234429_dpp4
Energy Plot
RMSD Scatter Plot