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

Docking Result

CHEMBL2425074_dpp4

Atoms: 234
Models: 9
Best Energy: -7.744 kcal/mol

Binding Energies:
  • Pose 1: -7.744 kcal/mol
  • Pose 2: -7.492 kcal/mol
  • Pose 3: -7.35 kcal/mol
  • Pose 4: -7.282 kcal/mol
  • Pose 5: -7.275 kcal/mol
  • Pose 6: -7.239 kcal/mol
  • Pose 7: -7.208 kcal/mol
  • Pose 8: -7.051 kcal/mol
  • Pose 9: -6.881 kcal/mol
CHEMBL2425074_dpp4
Energy Plot
RMSD Scatter Plot