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

Docking Result

CHEMBL232185_dpp4

Atoms: 252
Models: 9
Best Energy: -7.294 kcal/mol

Binding Energies:
  • Pose 1: -7.294 kcal/mol
  • Pose 2: -7.177 kcal/mol
  • Pose 3: -7.088 kcal/mol
  • Pose 4: -7.001 kcal/mol
  • Pose 5: -6.956 kcal/mol
  • Pose 6: -6.918 kcal/mol
  • Pose 7: -6.699 kcal/mol
  • Pose 8: -6.567 kcal/mol
  • Pose 9: -6.565 kcal/mol
CHEMBL232185_dpp4
Energy Plot
RMSD Scatter Plot