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

Docking Result

CHEMBL1951607_dpp4

Atoms: 360
Models: 9
Best Energy: -7.504 kcal/mol

Binding Energies:
  • Pose 1: -7.504 kcal/mol
  • Pose 2: -7.109 kcal/mol
  • Pose 3: -7.004 kcal/mol
  • Pose 4: -6.75 kcal/mol
  • Pose 5: -6.606 kcal/mol
  • Pose 6: -6.49 kcal/mol
  • Pose 7: -6.306 kcal/mol
  • Pose 8: -6.216 kcal/mol
  • Pose 9: -6.196 kcal/mol
CHEMBL1951607_dpp4
Energy Plot
RMSD Scatter Plot