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

Docking Result

CHEMBL1688429_dpp4

Atoms: 243
Models: 9
Best Energy: -8.157 kcal/mol

Binding Energies:
  • Pose 1: -8.157 kcal/mol
  • Pose 2: -7.88 kcal/mol
  • Pose 3: -7.86 kcal/mol
  • Pose 4: -7.724 kcal/mol
  • Pose 5: -7.652 kcal/mol
  • Pose 6: -7.642 kcal/mol
  • Pose 7: -7.625 kcal/mol
  • Pose 8: -7.525 kcal/mol
  • Pose 9: -7.325 kcal/mol
CHEMBL1688429_dpp4
Energy Plot
RMSD Scatter Plot