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

Docking Result

CHEMBL403862_dpp4

Atoms: 180
Models: 9
Best Energy: -6.913 kcal/mol

Binding Energies:
  • Pose 1: -6.913 kcal/mol
  • Pose 2: -6.287 kcal/mol
  • Pose 3: -6.152 kcal/mol
  • Pose 4: -6.087 kcal/mol
  • Pose 5: -6.029 kcal/mol
  • Pose 6: -5.984 kcal/mol
  • Pose 7: -5.942 kcal/mol
  • Pose 8: -5.833 kcal/mol
  • Pose 9: -5.826 kcal/mol
CHEMBL403862_dpp4
Energy Plot
RMSD Scatter Plot