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

Docking Result

CHEMBL556220_dpp4

Atoms: 162
Models: 9
Best Energy: -6.372 kcal/mol

Binding Energies:
  • Pose 1: -6.372 kcal/mol
  • Pose 2: -6.339 kcal/mol
  • Pose 3: -6.056 kcal/mol
  • Pose 4: -6.013 kcal/mol
  • Pose 5: -6.012 kcal/mol
  • Pose 6: -5.919 kcal/mol
  • Pose 7: -5.877 kcal/mol
  • Pose 8: -5.866 kcal/mol
  • Pose 9: -5.758 kcal/mol
CHEMBL556220_dpp4
Energy Plot
RMSD Scatter Plot