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

Docking Result

CHEMBL3675629_dpp4

Atoms: 252
Models: 9
Best Energy: -7.027 kcal/mol

Binding Energies:
  • Pose 1: -7.027 kcal/mol
  • Pose 2: -6.978 kcal/mol
  • Pose 3: -6.94 kcal/mol
  • Pose 4: -6.912 kcal/mol
  • Pose 5: -6.902 kcal/mol
  • Pose 6: -6.855 kcal/mol
  • Pose 7: -6.826 kcal/mol
  • Pose 8: -6.782 kcal/mol
  • Pose 9: -6.761 kcal/mol
CHEMBL3675629_dpp4
Energy Plot
RMSD Scatter Plot