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

Docking Result

CHEMBL3704834_dpp4

Atoms: 198
Models: 9
Best Energy: -6.409 kcal/mol

Binding Energies:
  • Pose 1: -6.409 kcal/mol
  • Pose 2: -6.396 kcal/mol
  • Pose 3: -6.274 kcal/mol
  • Pose 4: -6.253 kcal/mol
  • Pose 5: -6.221 kcal/mol
  • Pose 6: -6.118 kcal/mol
  • Pose 7: -6.109 kcal/mol
  • Pose 8: -6.041 kcal/mol
  • Pose 9: -5.954 kcal/mol
CHEMBL3704834_dpp4
Energy Plot
RMSD Scatter Plot