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

Docking Result

CHEMBL2147775_dpp4

Atoms: 279
Models: 9
Best Energy: -8.385 kcal/mol

Binding Energies:
  • Pose 1: -8.385 kcal/mol
  • Pose 2: -7.812 kcal/mol
  • Pose 3: -7.772 kcal/mol
  • Pose 4: -7.744 kcal/mol
  • Pose 5: -7.55 kcal/mol
  • Pose 6: -7.468 kcal/mol
  • Pose 7: -7.34 kcal/mol
  • Pose 8: -7.254 kcal/mol
  • Pose 9: -7.214 kcal/mol
CHEMBL2147775_dpp4
Energy Plot
RMSD Scatter Plot