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

Docking Result

CHEMBL456413_dpp4

Atoms: 261
Models: 9
Best Energy: -8.434 kcal/mol

Binding Energies:
  • Pose 1: -8.434 kcal/mol
  • Pose 2: -8.393 kcal/mol
  • Pose 3: -8.198 kcal/mol
  • Pose 4: -8.131 kcal/mol
  • Pose 5: -8.043 kcal/mol
  • Pose 6: -7.942 kcal/mol
  • Pose 7: -7.912 kcal/mol
  • Pose 8: -7.78 kcal/mol
  • Pose 9: -7.761 kcal/mol
CHEMBL456413_dpp4
Energy Plot
RMSD Scatter Plot