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

Docking Result

CHEMBL3697950_dpp4

Atoms: 360
Models: 9
Best Energy: -9.847 kcal/mol

Binding Energies:
  • Pose 1: -9.847 kcal/mol
  • Pose 2: -9.318 kcal/mol
  • Pose 3: -8.64 kcal/mol
  • Pose 4: -8.423 kcal/mol
  • Pose 5: -8.417 kcal/mol
  • Pose 6: -8.413 kcal/mol
  • Pose 7: -8.407 kcal/mol
  • Pose 8: -8.398 kcal/mol
  • Pose 9: -7.949 kcal/mol
CHEMBL3697950_dpp4
Energy Plot
RMSD Scatter Plot