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

Docking Result

CHEMBL1779707_dpp4

Atoms: 261
Models: 9
Best Energy: -7.439 kcal/mol

Binding Energies:
  • Pose 1: -7.439 kcal/mol
  • Pose 2: -7.417 kcal/mol
  • Pose 3: -7.237 kcal/mol
  • Pose 4: -7.219 kcal/mol
  • Pose 5: -6.989 kcal/mol
  • Pose 6: -6.915 kcal/mol
  • Pose 7: -6.859 kcal/mol
  • Pose 8: -6.835 kcal/mol
  • Pose 9: -6.804 kcal/mol
CHEMBL1779707_dpp4
Energy Plot
RMSD Scatter Plot