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

Docking Result

CHEMBL5418532_dpp4

Atoms: 324
Models: 9
Best Energy: -10.192 kcal/mol

Binding Energies:
  • Pose 1: -10.192 kcal/mol
  • Pose 2: -9.873 kcal/mol
  • Pose 3: -9.491 kcal/mol
  • Pose 4: -9.476 kcal/mol
  • Pose 5: -9.223 kcal/mol
  • Pose 6: -8.915 kcal/mol
  • Pose 7: -8.781 kcal/mol
  • Pose 8: -8.613 kcal/mol
  • Pose 9: -8.47 kcal/mol
CHEMBL5418532_dpp4
Energy Plot
RMSD Scatter Plot