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

Docking Result

CHEMBL5433150_dpp4

Atoms: 333
Models: 9
Best Energy: -9.533 kcal/mol

Binding Energies:
  • Pose 1: -9.533 kcal/mol
  • Pose 2: -9.411 kcal/mol
  • Pose 3: -9.404 kcal/mol
  • Pose 4: -9.329 kcal/mol
  • Pose 5: -9.168 kcal/mol
  • Pose 6: -8.983 kcal/mol
  • Pose 7: -8.966 kcal/mol
  • Pose 8: -8.854 kcal/mol
  • Pose 9: -8.76 kcal/mol
CHEMBL5433150_dpp4
Energy Plot
RMSD Scatter Plot