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

Docking Result

CHEMBL5219966_dpp4

Atoms: 387
Models: 9
Best Energy: -8.198 kcal/mol

Binding Energies:
  • Pose 1: -8.198 kcal/mol
  • Pose 2: -7.225 kcal/mol
  • Pose 3: -7.057 kcal/mol
  • Pose 4: -7.009 kcal/mol
  • Pose 5: -6.807 kcal/mol
  • Pose 6: -6.595 kcal/mol
  • Pose 7: -6.578 kcal/mol
  • Pose 8: -6.545 kcal/mol
  • Pose 9: -6.521 kcal/mol
CHEMBL5219966_dpp4
Energy Plot
RMSD Scatter Plot