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

Docking Result

CHEMBL3979864_dpp4

Atoms: 333
Models: 9
Best Energy: -8.858 kcal/mol

Binding Energies:
  • Pose 1: -8.858 kcal/mol
  • Pose 2: -8.545 kcal/mol
  • Pose 3: -8.505 kcal/mol
  • Pose 4: -8.479 kcal/mol
  • Pose 5: -8.358 kcal/mol
  • Pose 6: -8.353 kcal/mol
  • Pose 7: -8.212 kcal/mol
  • Pose 8: -8.055 kcal/mol
  • Pose 9: -7.984 kcal/mol
CHEMBL3979864_dpp4
Energy Plot
RMSD Scatter Plot