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

Docking Result

CHEMBL235134_dpp4

Atoms: 243
Models: 9
Best Energy: -7.793 kcal/mol

Binding Energies:
  • Pose 1: -7.793 kcal/mol
  • Pose 2: -7.507 kcal/mol
  • Pose 3: -7.414 kcal/mol
  • Pose 4: -7.283 kcal/mol
  • Pose 5: -7.234 kcal/mol
  • Pose 6: -7.082 kcal/mol
  • Pose 7: -6.923 kcal/mol
  • Pose 8: -6.895 kcal/mol
  • Pose 9: -6.629 kcal/mol
CHEMBL235134_dpp4
Energy Plot
RMSD Scatter Plot