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

Docking Result

CHEMBL5276657_dpp4

Atoms: 360
Models: 9
Best Energy: -9.063 kcal/mol

Binding Energies:
  • Pose 1: -9.063 kcal/mol
  • Pose 2: -8.876 kcal/mol
  • Pose 3: -8.858 kcal/mol
  • Pose 4: -8.465 kcal/mol
  • Pose 5: -8.41 kcal/mol
  • Pose 6: -8.376 kcal/mol
  • Pose 7: -8.338 kcal/mol
  • Pose 8: -8.325 kcal/mol
  • Pose 9: -8.196 kcal/mol
CHEMBL5276657_dpp4
Energy Plot
RMSD Scatter Plot