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

Docking Result

CHEMBL256521_dpp4

Atoms: 315
Models: 9
Best Energy: -9.366 kcal/mol

Binding Energies:
  • Pose 1: -9.366 kcal/mol
  • Pose 2: -9.037 kcal/mol
  • Pose 3: -8.774 kcal/mol
  • Pose 4: -8.552 kcal/mol
  • Pose 5: -8.427 kcal/mol
  • Pose 6: -8.403 kcal/mol
  • Pose 7: -8.38 kcal/mol
  • Pose 8: -8.294 kcal/mol
  • Pose 9: -8.252 kcal/mol
CHEMBL256521_dpp4
Energy Plot
RMSD Scatter Plot