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

Docking Result

CHEMBL5277064_dpp4

Atoms: 279
Models: 9
Best Energy: -8.756 kcal/mol

Binding Energies:
  • Pose 1: -8.756 kcal/mol
  • Pose 2: -7.847 kcal/mol
  • Pose 3: -7.78 kcal/mol
  • Pose 4: -7.653 kcal/mol
  • Pose 5: -7.645 kcal/mol
  • Pose 6: -7.56 kcal/mol
  • Pose 7: -7.318 kcal/mol
  • Pose 8: -7.275 kcal/mol
  • Pose 9: -7.192 kcal/mol
CHEMBL5277064_dpp4
Energy Plot
RMSD Scatter Plot