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

Docking Result

CHEMBL238114_dpp4

Atoms: 477
Models: 9
Best Energy: -8.284 kcal/mol

Binding Energies:
  • Pose 1: -8.284 kcal/mol
  • Pose 2: -8.271 kcal/mol
  • Pose 3: -8.265 kcal/mol
  • Pose 4: -8.157 kcal/mol
  • Pose 5: -8.115 kcal/mol
  • Pose 6: -8.11 kcal/mol
  • Pose 7: -8.059 kcal/mol
  • Pose 8: -8.054 kcal/mol
  • Pose 9: -8.041 kcal/mol
CHEMBL238114_dpp4
Energy Plot
RMSD Scatter Plot