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

Docking Result

CHEMBL3986074_dpp4

Atoms: 342
Models: 9
Best Energy: -8.97 kcal/mol

Binding Energies:
  • Pose 1: -8.97 kcal/mol
  • Pose 2: -8.807 kcal/mol
  • Pose 3: -8.184 kcal/mol
  • Pose 4: -8.014 kcal/mol
  • Pose 5: -8.011 kcal/mol
  • Pose 6: -7.926 kcal/mol
  • Pose 7: -7.825 kcal/mol
  • Pose 8: -7.718 kcal/mol
  • Pose 9: -7.684 kcal/mol
CHEMBL3986074_dpp4
Energy Plot
RMSD Scatter Plot