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

Docking Result

CHEMBL3093910_dpp4

Atoms: 261
Models: 9
Best Energy: -7.797 kcal/mol

Binding Energies:
  • Pose 1: -7.797 kcal/mol
  • Pose 2: -7.782 kcal/mol
  • Pose 3: -7.163 kcal/mol
  • Pose 4: -7.033 kcal/mol
  • Pose 5: -6.997 kcal/mol
  • Pose 6: -6.966 kcal/mol
  • Pose 7: -6.865 kcal/mol
  • Pose 8: -6.816 kcal/mol
  • Pose 9: -6.746 kcal/mol
CHEMBL3093910_dpp4
Energy Plot
RMSD Scatter Plot