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

Docking Result

CHEMBL3805226_dpp4

Atoms: 270
Models: 9
Best Energy: -8.569 kcal/mol

Binding Energies:
  • Pose 1: -8.569 kcal/mol
  • Pose 2: -8.219 kcal/mol
  • Pose 3: -8.218 kcal/mol
  • Pose 4: -8.019 kcal/mol
  • Pose 5: -7.882 kcal/mol
  • Pose 6: -7.869 kcal/mol
  • Pose 7: -7.831 kcal/mol
  • Pose 8: -7.71 kcal/mol
  • Pose 9: -7.522 kcal/mol
CHEMBL3805226_dpp4
Energy Plot
RMSD Scatter Plot