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

Docking Result

CHEMBL480913_dpp4

Atoms: 279
Models: 9
Best Energy: -8.361 kcal/mol

Binding Energies:
  • Pose 1: -8.361 kcal/mol
  • Pose 2: -8.256 kcal/mol
  • Pose 3: -8.182 kcal/mol
  • Pose 4: -8.104 kcal/mol
  • Pose 5: -8.008 kcal/mol
  • Pose 6: -7.99 kcal/mol
  • Pose 7: -7.962 kcal/mol
  • Pose 8: -7.923 kcal/mol
  • Pose 9: -7.915 kcal/mol
CHEMBL480913_dpp4
Energy Plot
RMSD Scatter Plot