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

Docking Result

CHEMBL1779694_dpp4

Atoms: 306
Models: 9
Best Energy: -8.781 kcal/mol

Binding Energies:
  • Pose 1: -8.781 kcal/mol
  • Pose 2: -8.431 kcal/mol
  • Pose 3: -8.285 kcal/mol
  • Pose 4: -8.041 kcal/mol
  • Pose 5: -7.867 kcal/mol
  • Pose 6: -7.825 kcal/mol
  • Pose 7: -7.722 kcal/mol
  • Pose 8: -7.712 kcal/mol
  • Pose 9: -7.586 kcal/mol
CHEMBL1779694_dpp4
Energy Plot
RMSD Scatter Plot