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

Docking Result

CHEMBL5177166_dpp4

Atoms: 261
Models: 9
Best Energy: -6.931 kcal/mol

Binding Energies:
  • Pose 1: -6.931 kcal/mol
  • Pose 2: -6.856 kcal/mol
  • Pose 3: -6.615 kcal/mol
  • Pose 4: -6.581 kcal/mol
  • Pose 5: -6.528 kcal/mol
  • Pose 6: -6.517 kcal/mol
  • Pose 7: -6.436 kcal/mol
  • Pose 8: -6.373 kcal/mol
  • Pose 9: -6.337 kcal/mol
CHEMBL5177166_dpp4
Energy Plot
RMSD Scatter Plot