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

Docking Result

CHEMBL1243248_dpp4

Atoms: 252
Models: 9
Best Energy: -8.381 kcal/mol

Binding Energies:
  • Pose 1: -8.381 kcal/mol
  • Pose 2: -8.162 kcal/mol
  • Pose 3: -8.058 kcal/mol
  • Pose 4: -7.936 kcal/mol
  • Pose 5: -7.854 kcal/mol
  • Pose 6: -7.837 kcal/mol
  • Pose 7: -7.691 kcal/mol
  • Pose 8: -7.65 kcal/mol
  • Pose 9: -7.59 kcal/mol
CHEMBL1243248_dpp4
Energy Plot
RMSD Scatter Plot