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

Docking Result

CHEMBL4745231_dpp4

Atoms: 270
Models: 9
Best Energy: -8.92 kcal/mol

Binding Energies:
  • Pose 1: -8.92 kcal/mol
  • Pose 2: -8.87 kcal/mol
  • Pose 3: -8.081 kcal/mol
  • Pose 4: -8.003 kcal/mol
  • Pose 5: -7.936 kcal/mol
  • Pose 6: -7.866 kcal/mol
  • Pose 7: -7.812 kcal/mol
  • Pose 8: -7.759 kcal/mol
  • Pose 9: -7.708 kcal/mol
CHEMBL4745231_dpp4
Energy Plot
RMSD Scatter Plot