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

Docking Result

CHEMBL2206479_dpp4

Atoms: 351
Models: 9
Best Energy: -9.13 kcal/mol

Binding Energies:
  • Pose 1: -9.13 kcal/mol
  • Pose 2: -9.036 kcal/mol
  • Pose 3: -9.035 kcal/mol
  • Pose 4: -8.973 kcal/mol
  • Pose 5: -8.971 kcal/mol
  • Pose 6: -8.939 kcal/mol
  • Pose 7: -8.917 kcal/mol
  • Pose 8: -8.769 kcal/mol
  • Pose 9: -8.722 kcal/mol
CHEMBL2206479_dpp4
Energy Plot
RMSD Scatter Plot