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

Docking Result

CHEMBL1951610_dpp4

Atoms: 351
Models: 9
Best Energy: -6.729 kcal/mol

Binding Energies:
  • Pose 1: -6.729 kcal/mol
  • Pose 2: -6.259 kcal/mol
  • Pose 3: -6.163 kcal/mol
  • Pose 4: -6.081 kcal/mol
  • Pose 5: -6.038 kcal/mol
  • Pose 6: -6.005 kcal/mol
  • Pose 7: -5.898 kcal/mol
  • Pose 8: -5.756 kcal/mol
  • Pose 9: -5.625 kcal/mol
CHEMBL1951610_dpp4
Energy Plot
RMSD Scatter Plot