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

Docking Result

CHEMBL3697948_dpp4

Atoms: 297
Models: 9
Best Energy: -8.012 kcal/mol

Binding Energies:
  • Pose 1: -8.012 kcal/mol
  • Pose 2: -7.81 kcal/mol
  • Pose 3: -7.795 kcal/mol
  • Pose 4: -7.784 kcal/mol
  • Pose 5: -7.735 kcal/mol
  • Pose 6: -7.285 kcal/mol
  • Pose 7: -7.269 kcal/mol
  • Pose 8: -7.232 kcal/mol
  • Pose 9: -7.205 kcal/mol
CHEMBL3697948_dpp4
Energy Plot
RMSD Scatter Plot