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

Docking Result

CHEMBL472100_dpp4

Atoms: 225
Models: 9
Best Energy: -7.874 kcal/mol

Binding Energies:
  • Pose 1: -7.874 kcal/mol
  • Pose 2: -7.472 kcal/mol
  • Pose 3: -7.297 kcal/mol
  • Pose 4: -7.073 kcal/mol
  • Pose 5: -7.062 kcal/mol
  • Pose 6: -6.974 kcal/mol
  • Pose 7: -6.938 kcal/mol
  • Pose 8: -6.872 kcal/mol
  • Pose 9: -6.843 kcal/mol
CHEMBL472100_dpp4
Energy Plot
RMSD Scatter Plot