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

Docking Result

CHEMBL3966199_dpp4

Atoms: 333
Models: 9
Best Energy: -9.446 kcal/mol

Binding Energies:
  • Pose 1: -9.446 kcal/mol
  • Pose 2: -9.028 kcal/mol
  • Pose 3: -8.398 kcal/mol
  • Pose 4: -8.257 kcal/mol
  • Pose 5: -8.191 kcal/mol
  • Pose 6: -8.19 kcal/mol
  • Pose 7: -8.071 kcal/mol
  • Pose 8: -8.055 kcal/mol
  • Pose 9: -7.952 kcal/mol
CHEMBL3966199_dpp4
Energy Plot
RMSD Scatter Plot