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

Docking Result

CHEMBL5562853_dpp4

Atoms: 297
Models: 9
Best Energy: -7.869 kcal/mol

Binding Energies:
  • Pose 1: -7.869 kcal/mol
  • Pose 2: -7.848 kcal/mol
  • Pose 3: -7.733 kcal/mol
  • Pose 4: -7.588 kcal/mol
  • Pose 5: -7.461 kcal/mol
  • Pose 6: -7.45 kcal/mol
  • Pose 7: -7.277 kcal/mol
  • Pose 8: -7.26 kcal/mol
  • Pose 9: -7.063 kcal/mol
CHEMBL5562853_dpp4
Energy Plot
RMSD Scatter Plot