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

Docking Result

CHEMBL3233546_dpp4

Atoms: 252
Models: 9
Best Energy: -8.053 kcal/mol

Binding Energies:
  • Pose 1: -8.053 kcal/mol
  • Pose 2: -7.535 kcal/mol
  • Pose 3: -7.444 kcal/mol
  • Pose 4: -7.43 kcal/mol
  • Pose 5: -7.41 kcal/mol
  • Pose 6: -7.407 kcal/mol
  • Pose 7: -7.157 kcal/mol
  • Pose 8: -7.143 kcal/mol
  • Pose 9: -7.133 kcal/mol
CHEMBL3233546_dpp4
Energy Plot
RMSD Scatter Plot