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

Docking Result

CHEMBL4776485_dpp4

Atoms: 387
Models: 9
Best Energy: -7.794 kcal/mol

Binding Energies:
  • Pose 1: -7.794 kcal/mol
  • Pose 2: -7.314 kcal/mol
  • Pose 3: -7.295 kcal/mol
  • Pose 4: -7.191 kcal/mol
  • Pose 5: -7.108 kcal/mol
  • Pose 6: -7.064 kcal/mol
  • Pose 7: -7.003 kcal/mol
  • Pose 8: -6.882 kcal/mol
  • Pose 9: -6.784 kcal/mol
CHEMBL4776485_dpp4
Energy Plot
RMSD Scatter Plot