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

Docking Result

CHEMBL3968332_dpp4

Atoms: 252
Models: 9
Best Energy: -9.313 kcal/mol

Binding Energies:
  • Pose 1: -9.313 kcal/mol
  • Pose 2: -9.181 kcal/mol
  • Pose 3: -9.162 kcal/mol
  • Pose 4: -8.549 kcal/mol
  • Pose 5: -8.168 kcal/mol
  • Pose 6: -8.168 kcal/mol
  • Pose 7: -8.156 kcal/mol
  • Pose 8: -8.01 kcal/mol
  • Pose 9: -7.866 kcal/mol
CHEMBL3968332_dpp4
Energy Plot
RMSD Scatter Plot