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

Docking Result

CHEMBL5220750_dpp4

Atoms: 261
Models: 9
Best Energy: -7.072 kcal/mol

Binding Energies:
  • Pose 1: -7.072 kcal/mol
  • Pose 2: -6.832 kcal/mol
  • Pose 3: -6.794 kcal/mol
  • Pose 4: -6.411 kcal/mol
  • Pose 5: -6.376 kcal/mol
  • Pose 6: -6.347 kcal/mol
  • Pose 7: -6.325 kcal/mol
  • Pose 8: -6.167 kcal/mol
  • Pose 9: -6.086 kcal/mol
CHEMBL5220750_dpp4
Energy Plot
RMSD Scatter Plot