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

Docking Result

CHEMBL487680_dpp4

Atoms: 207
Models: 9
Best Energy: -6.73 kcal/mol

Binding Energies:
  • Pose 1: -6.73 kcal/mol
  • Pose 2: -6.53 kcal/mol
  • Pose 3: -6.417 kcal/mol
  • Pose 4: -6.364 kcal/mol
  • Pose 5: -6.323 kcal/mol
  • Pose 6: -6.269 kcal/mol
  • Pose 7: -6.217 kcal/mol
  • Pose 8: -6.208 kcal/mol
  • Pose 9: -6.119 kcal/mol
CHEMBL487680_dpp4
Energy Plot
RMSD Scatter Plot