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

Docking Result

CHEMBL512895_dpp4

Atoms: 243
Models: 9
Best Energy: -7.477 kcal/mol

Binding Energies:
  • Pose 1: -7.477 kcal/mol
  • Pose 2: -7.41 kcal/mol
  • Pose 3: -7.167 kcal/mol
  • Pose 4: -7.167 kcal/mol
  • Pose 5: -7.166 kcal/mol
  • Pose 6: -7.091 kcal/mol
  • Pose 7: -7.043 kcal/mol
  • Pose 8: -6.869 kcal/mol
  • Pose 9: -6.829 kcal/mol
CHEMBL512895_dpp4
Energy Plot
RMSD Scatter Plot