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

Docking Result

CHEMBL403156_dpp4

Atoms: 243
Models: 9
Best Energy: -8.85 kcal/mol

Binding Energies:
  • Pose 1: -8.85 kcal/mol
  • Pose 2: -7.976 kcal/mol
  • Pose 3: -7.698 kcal/mol
  • Pose 4: -7.682 kcal/mol
  • Pose 5: -7.538 kcal/mol
  • Pose 6: -7.495 kcal/mol
  • Pose 7: -7.296 kcal/mol
  • Pose 8: -7.269 kcal/mol
  • Pose 9: -7.25 kcal/mol
CHEMBL403156_dpp4
Energy Plot
RMSD Scatter Plot