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

Docking Result

CHEMBL487630_dpp4

Atoms: 243
Models: 9
Best Energy: -7.485 kcal/mol

Binding Energies:
  • Pose 1: -7.485 kcal/mol
  • Pose 2: -7.35 kcal/mol
  • Pose 3: -7.296 kcal/mol
  • Pose 4: -7.26 kcal/mol
  • Pose 5: -7.185 kcal/mol
  • Pose 6: -7.121 kcal/mol
  • Pose 7: -7.06 kcal/mol
  • Pose 8: -7.045 kcal/mol
  • Pose 9: -7.024 kcal/mol
CHEMBL487630_dpp4
Energy Plot
RMSD Scatter Plot