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

Docking Result

CHEMBL6011250_dpp4

Atoms: 243
Models: 9
Best Energy: -8.509 kcal/mol

Binding Energies:
  • Pose 1: -8.509 kcal/mol
  • Pose 2: -8.496 kcal/mol
  • Pose 3: -8.412 kcal/mol
  • Pose 4: -8.362 kcal/mol
  • Pose 5: -8.334 kcal/mol
  • Pose 6: -8.269 kcal/mol
  • Pose 7: -8.232 kcal/mol
  • Pose 8: -8.181 kcal/mol
  • Pose 9: -7.974 kcal/mol
CHEMBL6011250_dpp4
Energy Plot
RMSD Scatter Plot