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

Docking Result

CHEMBL5440616_dpp4

Atoms: 261
Models: 9
Best Energy: -8.037 kcal/mol

Binding Energies:
  • Pose 1: -8.037 kcal/mol
  • Pose 2: -7.523 kcal/mol
  • Pose 3: -7.504 kcal/mol
  • Pose 4: -7.271 kcal/mol
  • Pose 5: -6.892 kcal/mol
  • Pose 6: -6.812 kcal/mol
  • Pose 7: -6.776 kcal/mol
  • Pose 8: -6.76 kcal/mol
  • Pose 9: -6.558 kcal/mol
CHEMBL5440616_dpp4
Energy Plot
RMSD Scatter Plot