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

Docking Result

CHEMBL5398643_dpp4

Atoms: 315
Models: 9
Best Energy: -9.239 kcal/mol

Binding Energies:
  • Pose 1: -9.239 kcal/mol
  • Pose 2: -9.114 kcal/mol
  • Pose 3: -8.816 kcal/mol
  • Pose 4: -8.423 kcal/mol
  • Pose 5: -8.422 kcal/mol
  • Pose 6: -8.359 kcal/mol
  • Pose 7: -8.257 kcal/mol
  • Pose 8: -8.039 kcal/mol
  • Pose 9: -8.006 kcal/mol
CHEMBL5398643_dpp4
Energy Plot
RMSD Scatter Plot