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

Docking Result

CHEMBL5405991_dpp4

Atoms: 333
Models: 9
Best Energy: -9.913 kcal/mol

Binding Energies:
  • Pose 1: -9.913 kcal/mol
  • Pose 2: -8.873 kcal/mol
  • Pose 3: -8.781 kcal/mol
  • Pose 4: -8.368 kcal/mol
  • Pose 5: -8.332 kcal/mol
  • Pose 6: -8.295 kcal/mol
  • Pose 7: -8.271 kcal/mol
  • Pose 8: -8.254 kcal/mol
  • Pose 9: -8.037 kcal/mol
CHEMBL5405991_dpp4
Energy Plot
RMSD Scatter Plot