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

Docking Result

CHEMBL1951431_dpp4

Atoms: 333
Models: 9
Best Energy: -9.103 kcal/mol

Binding Energies:
  • Pose 1: -9.103 kcal/mol
  • Pose 2: -9.05 kcal/mol
  • Pose 3: -8.943 kcal/mol
  • Pose 4: -8.835 kcal/mol
  • Pose 5: -8.575 kcal/mol
  • Pose 6: -8.505 kcal/mol
  • Pose 7: -8.176 kcal/mol
  • Pose 8: -8.149 kcal/mol
  • Pose 9: -8.098 kcal/mol
CHEMBL1951431_dpp4
Energy Plot
RMSD Scatter Plot