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

Docking Result

CHEMBL5439710_dpp4

Atoms: 216
Models: 9
Best Energy: -7.156 kcal/mol

Binding Energies:
  • Pose 1: -7.156 kcal/mol
  • Pose 2: -6.979 kcal/mol
  • Pose 3: -6.929 kcal/mol
  • Pose 4: -6.752 kcal/mol
  • Pose 5: -6.712 kcal/mol
  • Pose 6: -6.645 kcal/mol
  • Pose 7: -6.586 kcal/mol
  • Pose 8: -6.554 kcal/mol
  • Pose 9: -6.405 kcal/mol
CHEMBL5439710_dpp4
Energy Plot
RMSD Scatter Plot