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

Docking Result

CHEMBL5964389_dpp4

Atoms: 342
Models: 9
Best Energy: -9.397 kcal/mol

Binding Energies:
  • Pose 1: -9.397 kcal/mol
  • Pose 2: -9.295 kcal/mol
  • Pose 3: -8.982 kcal/mol
  • Pose 4: -8.954 kcal/mol
  • Pose 5: -8.848 kcal/mol
  • Pose 6: -8.783 kcal/mol
  • Pose 7: -8.629 kcal/mol
  • Pose 8: -8.612 kcal/mol
  • Pose 9: -8.605 kcal/mol
CHEMBL5964389_dpp4
Energy Plot
RMSD Scatter Plot