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

Docking Result

CHEMBL217245_dpp4

Atoms: 252
Models: 9
Best Energy: -7.162 kcal/mol

Binding Energies:
  • Pose 1: -7.162 kcal/mol
  • Pose 2: -7.122 kcal/mol
  • Pose 3: -7.069 kcal/mol
  • Pose 4: -6.979 kcal/mol
  • Pose 5: -6.882 kcal/mol
  • Pose 6: -6.833 kcal/mol
  • Pose 7: -6.795 kcal/mol
  • Pose 8: -6.762 kcal/mol
  • Pose 9: -6.756 kcal/mol
CHEMBL217245_dpp4
Energy Plot
RMSD Scatter Plot