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

Docking Result

CHEMBL4528149_dpp4

Atoms: 342
Models: 9
Best Energy: -9.173 kcal/mol

Binding Energies:
  • Pose 1: -9.173 kcal/mol
  • Pose 2: -8.948 kcal/mol
  • Pose 3: -8.307 kcal/mol
  • Pose 4: -8.13 kcal/mol
  • Pose 5: -7.865 kcal/mol
  • Pose 6: -7.62 kcal/mol
  • Pose 7: -7.602 kcal/mol
  • Pose 8: -7.53 kcal/mol
  • Pose 9: -7.446 kcal/mol
CHEMBL4528149_dpp4
Energy Plot
RMSD Scatter Plot