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

Docking Result

CHEMBL471546_dpp4

Atoms: 180
Models: 9
Best Energy: -6.153 kcal/mol

Binding Energies:
  • Pose 1: -6.153 kcal/mol
  • Pose 2: -6.114 kcal/mol
  • Pose 3: -6.056 kcal/mol
  • Pose 4: -5.986 kcal/mol
  • Pose 5: -5.97 kcal/mol
  • Pose 6: -5.907 kcal/mol
  • Pose 7: -5.82 kcal/mol
  • Pose 8: -5.801 kcal/mol
  • Pose 9: -5.727 kcal/mol
CHEMBL471546_dpp4
Energy Plot
RMSD Scatter Plot