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

Docking Result

CHEMBL2425069_dpp4

Atoms: 270
Models: 9
Best Energy: -8.892 kcal/mol

Binding Energies:
  • Pose 1: -8.892 kcal/mol
  • Pose 2: -8.058 kcal/mol
  • Pose 3: -7.782 kcal/mol
  • Pose 4: -7.766 kcal/mol
  • Pose 5: -7.708 kcal/mol
  • Pose 6: -7.508 kcal/mol
  • Pose 7: -7.421 kcal/mol
  • Pose 8: -7.308 kcal/mol
  • Pose 9: -7.283 kcal/mol
CHEMBL2425069_dpp4
Energy Plot
RMSD Scatter Plot