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

Docking Result

CHEMBL5422425_dpp4

Atoms: 342
Models: 9
Best Energy: -8.755 kcal/mol

Binding Energies:
  • Pose 1: -8.755 kcal/mol
  • Pose 2: -8.535 kcal/mol
  • Pose 3: -8.52 kcal/mol
  • Pose 4: -8.308 kcal/mol
  • Pose 5: -8.271 kcal/mol
  • Pose 6: -8.178 kcal/mol
  • Pose 7: -8.145 kcal/mol
  • Pose 8: -8.115 kcal/mol
  • Pose 9: -8.074 kcal/mol
CHEMBL5422425_dpp4
Energy Plot
RMSD Scatter Plot