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

Docking Result

CHEMBL234412_dpp4

Atoms: 225
Models: 9
Best Energy: -7.124 kcal/mol

Binding Energies:
  • Pose 1: -7.124 kcal/mol
  • Pose 2: -6.803 kcal/mol
  • Pose 3: -6.761 kcal/mol
  • Pose 4: -6.755 kcal/mol
  • Pose 5: -6.599 kcal/mol
  • Pose 6: -6.509 kcal/mol
  • Pose 7: -6.49 kcal/mol
  • Pose 8: -6.49 kcal/mol
  • Pose 9: -6.318 kcal/mol
CHEMBL234412_dpp4
Energy Plot
RMSD Scatter Plot