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

Docking Result

CHEMBL518831_dpp4

Atoms: 288
Models: 9
Best Energy: -7.928 kcal/mol

Binding Energies:
  • Pose 1: -7.928 kcal/mol
  • Pose 2: -7.764 kcal/mol
  • Pose 3: -7.056 kcal/mol
  • Pose 4: -6.936 kcal/mol
  • Pose 5: -6.806 kcal/mol
  • Pose 6: -6.723 kcal/mol
  • Pose 7: -6.65 kcal/mol
  • Pose 8: -6.647 kcal/mol
  • Pose 9: -6.614 kcal/mol
CHEMBL518831_dpp4
Energy Plot
RMSD Scatter Plot