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

Docking Result

CHEMBL2346930_dpp4

Atoms: 315
Models: 9
Best Energy: -9.069 kcal/mol

Binding Energies:
  • Pose 1: -9.069 kcal/mol
  • Pose 2: -8.895 kcal/mol
  • Pose 3: -8.718 kcal/mol
  • Pose 4: -8.697 kcal/mol
  • Pose 5: -8.592 kcal/mol
  • Pose 6: -8.553 kcal/mol
  • Pose 7: -8.485 kcal/mol
  • Pose 8: -8.482 kcal/mol
  • Pose 9: -8.384 kcal/mol
CHEMBL2346930_dpp4
Energy Plot
RMSD Scatter Plot