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

Docking Result

CHEMBL3112964_dpp4

Atoms: 171
Models: 9
Best Energy: -6.944 kcal/mol

Binding Energies:
  • Pose 1: -6.944 kcal/mol
  • Pose 2: -6.866 kcal/mol
  • Pose 3: -6.5 kcal/mol
  • Pose 4: -6.298 kcal/mol
  • Pose 5: -6.252 kcal/mol
  • Pose 6: -6.188 kcal/mol
  • Pose 7: -5.91 kcal/mol
  • Pose 8: -5.899 kcal/mol
  • Pose 9: -5.68 kcal/mol
CHEMBL3112964_dpp4
Energy Plot
RMSD Scatter Plot