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

Docking Result

CHEMBL257839_dpp4

Atoms: 360
Models: 9
Best Energy: -8.367 kcal/mol

Binding Energies:
  • Pose 1: -8.367 kcal/mol
  • Pose 2: -8.266 kcal/mol
  • Pose 3: -8.251 kcal/mol
  • Pose 4: -8.131 kcal/mol
  • Pose 5: -8.007 kcal/mol
  • Pose 6: -7.991 kcal/mol
  • Pose 7: -7.948 kcal/mol
  • Pose 8: -7.849 kcal/mol
  • Pose 9: -7.826 kcal/mol
CHEMBL257839_dpp4
Energy Plot
RMSD Scatter Plot