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

Docking Result

CHEMBL3645497_dpp4

Atoms: 279
Models: 9
Best Energy: -8.274 kcal/mol

Binding Energies:
  • Pose 1: -8.274 kcal/mol
  • Pose 2: -8.236 kcal/mol
  • Pose 3: -8.115 kcal/mol
  • Pose 4: -8.079 kcal/mol
  • Pose 5: -8.024 kcal/mol
  • Pose 6: -7.913 kcal/mol
  • Pose 7: -7.896 kcal/mol
  • Pose 8: -7.881 kcal/mol
  • Pose 9: -7.719 kcal/mol
CHEMBL3645497_dpp4
Energy Plot
RMSD Scatter Plot