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

Docking Result

CHEMBL2425071_dpp4

Atoms: 225
Models: 9
Best Energy: -7.713 kcal/mol

Binding Energies:
  • Pose 1: -7.713 kcal/mol
  • Pose 2: -7.586 kcal/mol
  • Pose 3: -7.562 kcal/mol
  • Pose 4: -7.298 kcal/mol
  • Pose 5: -7.298 kcal/mol
  • Pose 6: -7.278 kcal/mol
  • Pose 7: -7.199 kcal/mol
  • Pose 8: -7.073 kcal/mol
  • Pose 9: -7.017 kcal/mol
CHEMBL2425071_dpp4
Energy Plot
RMSD Scatter Plot