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

Docking Result

CHEMBL2147705_dpp4

Atoms: 270
Models: 9
Best Energy: -8.569 kcal/mol

Binding Energies:
  • Pose 1: -8.569 kcal/mol
  • Pose 2: -8.416 kcal/mol
  • Pose 3: -8.366 kcal/mol
  • Pose 4: -8.112 kcal/mol
  • Pose 5: -8.027 kcal/mol
  • Pose 6: -8.024 kcal/mol
  • Pose 7: -8.014 kcal/mol
  • Pose 8: -7.976 kcal/mol
  • Pose 9: -7.866 kcal/mol
CHEMBL2147705_dpp4
Energy Plot
RMSD Scatter Plot