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

Docking Result

CHEMBL217060_dpp4

Atoms: 288
Models: 9
Best Energy: -8.232 kcal/mol

Binding Energies:
  • Pose 1: -8.232 kcal/mol
  • Pose 2: -7.962 kcal/mol
  • Pose 3: -7.593 kcal/mol
  • Pose 4: -7.543 kcal/mol
  • Pose 5: -7.452 kcal/mol
  • Pose 6: -7.403 kcal/mol
  • Pose 7: -7.385 kcal/mol
  • Pose 8: -7.373 kcal/mol
  • Pose 9: -7.343 kcal/mol
CHEMBL217060_dpp4
Energy Plot
RMSD Scatter Plot