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

Docking Result

CHEMBL5191973_dpp4

Atoms: 261
Models: 9
Best Energy: -7.468 kcal/mol

Binding Energies:
  • Pose 1: -7.468 kcal/mol
  • Pose 2: -7.258 kcal/mol
  • Pose 3: -7.084 kcal/mol
  • Pose 4: -7.077 kcal/mol
  • Pose 5: -6.97 kcal/mol
  • Pose 6: -6.966 kcal/mol
  • Pose 7: -6.807 kcal/mol
  • Pose 8: -6.782 kcal/mol
  • Pose 9: -6.733 kcal/mol
CHEMBL5191973_dpp4
Energy Plot
RMSD Scatter Plot