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

Docking Result

CHEMBL1082465_dpp4

Atoms: 225
Models: 9
Best Energy: -6.873 kcal/mol

Binding Energies:
  • Pose 1: -6.873 kcal/mol
  • Pose 2: -6.611 kcal/mol
  • Pose 3: -6.485 kcal/mol
  • Pose 4: -6.473 kcal/mol
  • Pose 5: -6.437 kcal/mol
  • Pose 6: -6.309 kcal/mol
  • Pose 7: -6.27 kcal/mol
  • Pose 8: -6.269 kcal/mol
  • Pose 9: -6.252 kcal/mol
CHEMBL1082465_dpp4
Energy Plot
RMSD Scatter Plot