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

Docking Result

CHEMBL461289_dpp4

Atoms: 198
Models: 9
Best Energy: -6.206 kcal/mol

Binding Energies:
  • Pose 1: -6.206 kcal/mol
  • Pose 2: -6.057 kcal/mol
  • Pose 3: -5.925 kcal/mol
  • Pose 4: -5.907 kcal/mol
  • Pose 5: -5.9 kcal/mol
  • Pose 6: -5.793 kcal/mol
  • Pose 7: -5.786 kcal/mol
  • Pose 8: -5.641 kcal/mol
  • Pose 9: -5.633 kcal/mol
CHEMBL461289_dpp4
Energy Plot
RMSD Scatter Plot