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

Docking Result

CHEMBL1779698_dpp4

Atoms: 297
Models: 9
Best Energy: -8.729 kcal/mol

Binding Energies:
  • Pose 1: -8.729 kcal/mol
  • Pose 2: -8.655 kcal/mol
  • Pose 3: -7.587 kcal/mol
  • Pose 4: -7.532 kcal/mol
  • Pose 5: -7.437 kcal/mol
  • Pose 6: -7.4 kcal/mol
  • Pose 7: -7.348 kcal/mol
  • Pose 8: -7.341 kcal/mol
  • Pose 9: -7.282 kcal/mol
CHEMBL1779698_dpp4
Energy Plot
RMSD Scatter Plot