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

Docking Result

CHEMBL480705_dpp4

Atoms: 252
Models: 9
Best Energy: -7.374 kcal/mol

Binding Energies:
  • Pose 1: -7.374 kcal/mol
  • Pose 2: -7.182 kcal/mol
  • Pose 3: -7.016 kcal/mol
  • Pose 4: -6.874 kcal/mol
  • Pose 5: -6.865 kcal/mol
  • Pose 6: -6.823 kcal/mol
  • Pose 7: -6.8 kcal/mol
  • Pose 8: -6.753 kcal/mol
  • Pose 9: -6.751 kcal/mol
CHEMBL480705_dpp4
Energy Plot
RMSD Scatter Plot