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

Docking Result

CHEMBL4748332_dpp4

Atoms: 270
Models: 9
Best Energy: -7.866 kcal/mol

Binding Energies:
  • Pose 1: -7.866 kcal/mol
  • Pose 2: -7.662 kcal/mol
  • Pose 3: -7.413 kcal/mol
  • Pose 4: -7.358 kcal/mol
  • Pose 5: -7.357 kcal/mol
  • Pose 6: -7.34 kcal/mol
  • Pose 7: -7.188 kcal/mol
  • Pose 8: -7.035 kcal/mol
  • Pose 9: -6.974 kcal/mol
CHEMBL4748332_dpp4
Energy Plot
RMSD Scatter Plot