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

Docking Result

CHEMBL386326_dpp4

Atoms: 252
Models: 9
Best Energy: -7.521 kcal/mol

Binding Energies:
  • Pose 1: -7.521 kcal/mol
  • Pose 2: -7.483 kcal/mol
  • Pose 3: -7.319 kcal/mol
  • Pose 4: -7.026 kcal/mol
  • Pose 5: -6.969 kcal/mol
  • Pose 6: -6.946 kcal/mol
  • Pose 7: -6.918 kcal/mol
  • Pose 8: -6.783 kcal/mol
  • Pose 9: -6.659 kcal/mol
CHEMBL386326_dpp4
Energy Plot
RMSD Scatter Plot