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

Docking Result

CHEMBL5438345_dpp4

Atoms: 315
Models: 9
Best Energy: -9.191 kcal/mol

Binding Energies:
  • Pose 1: -9.191 kcal/mol
  • Pose 2: -8.893 kcal/mol
  • Pose 3: -8.819 kcal/mol
  • Pose 4: -8.792 kcal/mol
  • Pose 5: -8.326 kcal/mol
  • Pose 6: -8.048 kcal/mol
  • Pose 7: -7.991 kcal/mol
  • Pose 8: -7.943 kcal/mol
  • Pose 9: -7.742 kcal/mol
CHEMBL5438345_dpp4
Energy Plot
RMSD Scatter Plot