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

Docking Result

CHEMBL439067_dpp4

Atoms: 216
Models: 8
Best Energy: -7.173 kcal/mol

Binding Energies:
  • Pose 1: -7.173 kcal/mol
  • Pose 2: -6.879 kcal/mol
  • Pose 3: -6.624 kcal/mol
  • Pose 4: -6.462 kcal/mol
  • Pose 5: -6.303 kcal/mol
  • Pose 6: -6.281 kcal/mol
  • Pose 7: -6.253 kcal/mol
  • Pose 8: -6.217 kcal/mol
CHEMBL439067_dpp4
Energy Plot
RMSD Scatter Plot