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

Docking Result

CHEMBL4464592_dpp4

Atoms: 333
Models: 9
Best Energy: -8.405 kcal/mol

Binding Energies:
  • Pose 1: -8.405 kcal/mol
  • Pose 2: -8.009 kcal/mol
  • Pose 3: -7.975 kcal/mol
  • Pose 4: -7.921 kcal/mol
  • Pose 5: -7.909 kcal/mol
  • Pose 6: -7.853 kcal/mol
  • Pose 7: -7.832 kcal/mol
  • Pose 8: -7.769 kcal/mol
  • Pose 9: -7.755 kcal/mol
CHEMBL4464592_dpp4
Energy Plot
RMSD Scatter Plot