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

Docking Result

CHEMBL601937_dpp4

Atoms: 261
Models: 9
Best Energy: -7.611 kcal/mol

Binding Energies:
  • Pose 1: -7.611 kcal/mol
  • Pose 2: -6.982 kcal/mol
  • Pose 3: -6.979 kcal/mol
  • Pose 4: -6.922 kcal/mol
  • Pose 5: -6.899 kcal/mol
  • Pose 6: -6.866 kcal/mol
  • Pose 7: -6.862 kcal/mol
  • Pose 8: -6.752 kcal/mol
  • Pose 9: -6.645 kcal/mol
CHEMBL601937_dpp4
Energy Plot
RMSD Scatter Plot