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

Docking Result

CHEMBL359843_dpp4

Atoms: 207
Models: 9
Best Energy: -7.638 kcal/mol

Binding Energies:
  • Pose 1: -7.638 kcal/mol
  • Pose 2: -7.252 kcal/mol
  • Pose 3: -7.201 kcal/mol
  • Pose 4: -7.191 kcal/mol
  • Pose 5: -7.19 kcal/mol
  • Pose 6: -6.963 kcal/mol
  • Pose 7: -6.936 kcal/mol
  • Pose 8: -6.928 kcal/mol
  • Pose 9: -6.711 kcal/mol
CHEMBL359843_dpp4
Energy Plot
RMSD Scatter Plot