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

Docking Result

CHEMBL5598430_dpp4

Atoms: 513
Models: 9
Best Energy: -11.81 kcal/mol

Binding Energies:
  • Pose 1: -11.81 kcal/mol
  • Pose 2: -11.511 kcal/mol
  • Pose 3: -11.411 kcal/mol
  • Pose 4: -11.36 kcal/mol
  • Pose 5: -11.328 kcal/mol
  • Pose 6: -11.067 kcal/mol
  • Pose 7: -10.959 kcal/mol
  • Pose 8: -10.912 kcal/mol
  • Pose 9: -10.889 kcal/mol
CHEMBL5598430_dpp4
Energy Plot
RMSD Scatter Plot