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

Docking Result

CHEMBL4456228_dpp4

Atoms: 243
Models: 9
Best Energy: -7.7 kcal/mol

Binding Energies:
  • Pose 1: -7.7 kcal/mol
  • Pose 2: -7.583 kcal/mol
  • Pose 3: -7.583 kcal/mol
  • Pose 4: -7.115 kcal/mol
  • Pose 5: -7.097 kcal/mol
  • Pose 6: -7.075 kcal/mol
  • Pose 7: -7.043 kcal/mol
  • Pose 8: -6.995 kcal/mol
  • Pose 9: -6.985 kcal/mol
CHEMBL4456228_dpp4
Energy Plot
RMSD Scatter Plot