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

Docking Result

CHEMBL1085552_dpp4

Atoms: 261
Models: 9
Best Energy: -7.302 kcal/mol

Binding Energies:
  • Pose 1: -7.302 kcal/mol
  • Pose 2: -7.081 kcal/mol
  • Pose 3: -6.737 kcal/mol
  • Pose 4: -6.585 kcal/mol
  • Pose 5: -6.569 kcal/mol
  • Pose 6: -6.534 kcal/mol
  • Pose 7: -6.462 kcal/mol
  • Pose 8: -6.403 kcal/mol
  • Pose 9: -6.286 kcal/mol
CHEMBL1085552_dpp4
Energy Plot
RMSD Scatter Plot