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

Docking Result

CHEMBL1951611_dpp4

Atoms: 378
Models: 9
Best Energy: -7.437 kcal/mol

Binding Energies:
  • Pose 1: -7.437 kcal/mol
  • Pose 2: -6.826 kcal/mol
  • Pose 3: -6.718 kcal/mol
  • Pose 4: -6.712 kcal/mol
  • Pose 5: -6.623 kcal/mol
  • Pose 6: -6.351 kcal/mol
  • Pose 7: -6.261 kcal/mol
  • Pose 8: -6.131 kcal/mol
  • Pose 9: -5.974 kcal/mol
CHEMBL1951611_dpp4
Energy Plot
RMSD Scatter Plot