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

Docking Result

CHEMBL2022530_dpp4

Atoms: 234
Models: 9
Best Energy: -8.223 kcal/mol

Binding Energies:
  • Pose 1: -8.223 kcal/mol
  • Pose 2: -8.05 kcal/mol
  • Pose 3: -8.048 kcal/mol
  • Pose 4: -8.033 kcal/mol
  • Pose 5: -8.012 kcal/mol
  • Pose 6: -8 kcal/mol
  • Pose 7: -7.938 kcal/mol
  • Pose 8: -7.914 kcal/mol
  • Pose 9: -7.903 kcal/mol
CHEMBL2022530_dpp4
Energy Plot
RMSD Scatter Plot