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

Docking Result

CHEMBL2206473_dpp4

Atoms: 387
Models: 9
Best Energy: -8.578 kcal/mol

Binding Energies:
  • Pose 1: -8.578 kcal/mol
  • Pose 2: -8.52 kcal/mol
  • Pose 3: -8.515 kcal/mol
  • Pose 4: -8.439 kcal/mol
  • Pose 5: -8.438 kcal/mol
  • Pose 6: -8.345 kcal/mol
  • Pose 7: -8.317 kcal/mol
  • Pose 8: -8.249 kcal/mol
  • Pose 9: -8.136 kcal/mol
CHEMBL2206473_dpp4
Energy Plot
RMSD Scatter Plot