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

Docking Result

CHEMBL234431_dpp4

Atoms: 252
Models: 9
Best Energy: -7.119 kcal/mol

Binding Energies:
  • Pose 1: -7.119 kcal/mol
  • Pose 2: -7.118 kcal/mol
  • Pose 3: -7.022 kcal/mol
  • Pose 4: -6.945 kcal/mol
  • Pose 5: -6.887 kcal/mol
  • Pose 6: -6.735 kcal/mol
  • Pose 7: -6.713 kcal/mol
  • Pose 8: -6.713 kcal/mol
  • Pose 9: -6.662 kcal/mol
CHEMBL234431_dpp4
Energy Plot
RMSD Scatter Plot