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

Docking Result

CHEMBL471784_dpp4

Atoms: 270
Models: 9
Best Energy: -7.307 kcal/mol

Binding Energies:
  • Pose 1: -7.307 kcal/mol
  • Pose 2: -7.304 kcal/mol
  • Pose 3: -7.276 kcal/mol
  • Pose 4: -7.222 kcal/mol
  • Pose 5: -7.186 kcal/mol
  • Pose 6: -7.073 kcal/mol
  • Pose 7: -7.019 kcal/mol
  • Pose 8: -6.894 kcal/mol
  • Pose 9: -6.853 kcal/mol
CHEMBL471784_dpp4
Energy Plot
RMSD Scatter Plot