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

Docking Result

CHEMBL3694421_dpp4

Atoms: 270
Models: 9
Best Energy: -7.912 kcal/mol

Binding Energies:
  • Pose 1: -7.912 kcal/mol
  • Pose 2: -7.569 kcal/mol
  • Pose 3: -7.462 kcal/mol
  • Pose 4: -7.328 kcal/mol
  • Pose 5: -7.14 kcal/mol
  • Pose 6: -7.086 kcal/mol
  • Pose 7: -7.054 kcal/mol
  • Pose 8: -6.997 kcal/mol
  • Pose 9: -6.963 kcal/mol
CHEMBL3694421_dpp4
Energy Plot
RMSD Scatter Plot