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

Docking Result

CHEMBL399216_dpp4

Atoms: 261
Models: 9
Best Energy: -7.979 kcal/mol

Binding Energies:
  • Pose 1: -7.979 kcal/mol
  • Pose 2: -7.719 kcal/mol
  • Pose 3: -7.636 kcal/mol
  • Pose 4: -7.24 kcal/mol
  • Pose 5: -7.215 kcal/mol
  • Pose 6: -7.195 kcal/mol
  • Pose 7: -6.991 kcal/mol
  • Pose 8: -6.886 kcal/mol
  • Pose 9: -6.848 kcal/mol
CHEMBL399216_dpp4
Energy Plot
RMSD Scatter Plot