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

Docking Result

CHEMBL224421_dpp4

Atoms: 216
Models: 9
Best Energy: -7.095 kcal/mol

Binding Energies:
  • Pose 1: -7.095 kcal/mol
  • Pose 2: -7.033 kcal/mol
  • Pose 3: -6.956 kcal/mol
  • Pose 4: -6.944 kcal/mol
  • Pose 5: -6.876 kcal/mol
  • Pose 6: -6.866 kcal/mol
  • Pose 7: -6.74 kcal/mol
  • Pose 8: -6.723 kcal/mol
  • Pose 9: -6.599 kcal/mol
CHEMBL224421_dpp4
Energy Plot
RMSD Scatter Plot