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

Docking Result

CHEMBL254648_dpp4

Atoms: 387
Models: 9
Best Energy: -8.476 kcal/mol

Binding Energies:
  • Pose 1: -8.476 kcal/mol
  • Pose 2: -8.053 kcal/mol
  • Pose 3: -8.001 kcal/mol
  • Pose 4: -7.966 kcal/mol
  • Pose 5: -7.903 kcal/mol
  • Pose 6: -7.835 kcal/mol
  • Pose 7: -7.765 kcal/mol
  • Pose 8: -7.713 kcal/mol
  • Pose 9: -7.661 kcal/mol
CHEMBL254648_dpp4
Energy Plot
RMSD Scatter Plot