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

Docking Result

CHEMBL363606_dpp4

Atoms: 261
Models: 9
Best Energy: -7.832 kcal/mol

Binding Energies:
  • Pose 1: -7.832 kcal/mol
  • Pose 2: -7.826 kcal/mol
  • Pose 3: -7.82 kcal/mol
  • Pose 4: -7.795 kcal/mol
  • Pose 5: -7.722 kcal/mol
  • Pose 6: -7.671 kcal/mol
  • Pose 7: -7.624 kcal/mol
  • Pose 8: -7.358 kcal/mol
  • Pose 9: -6.912 kcal/mol
CHEMBL363606_dpp4
Energy Plot
RMSD Scatter Plot