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

Docking Result

CHEMBL387666_dpp4

Atoms: 216
Models: 9
Best Energy: -7.739 kcal/mol

Binding Energies:
  • Pose 1: -7.739 kcal/mol
  • Pose 2: -7.465 kcal/mol
  • Pose 3: -7.364 kcal/mol
  • Pose 4: -7.26 kcal/mol
  • Pose 5: -7.202 kcal/mol
  • Pose 6: -7.188 kcal/mol
  • Pose 7: -7.125 kcal/mol
  • Pose 8: -7.073 kcal/mol
  • Pose 9: -6.896 kcal/mol
CHEMBL387666_dpp4
Energy Plot
RMSD Scatter Plot