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

Docking Result

CHEMBL1651767_dpp4

Atoms: 261
Models: 9
Best Energy: -9.048 kcal/mol

Binding Energies:
  • Pose 1: -9.048 kcal/mol
  • Pose 2: -8.241 kcal/mol
  • Pose 3: -8.014 kcal/mol
  • Pose 4: -7.553 kcal/mol
  • Pose 5: -7.306 kcal/mol
  • Pose 6: -7.225 kcal/mol
  • Pose 7: -6.986 kcal/mol
  • Pose 8: -6.905 kcal/mol
  • Pose 9: -6.829 kcal/mol
CHEMBL1651767_dpp4
Energy Plot
RMSD Scatter Plot