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

Docking Result

CHEMBL4242416_dpp4

Atoms: 297
Models: 9
Best Energy: -7.793 kcal/mol

Binding Energies:
  • Pose 1: -7.793 kcal/mol
  • Pose 2: -7.271 kcal/mol
  • Pose 3: -7.232 kcal/mol
  • Pose 4: -7.182 kcal/mol
  • Pose 5: -7.066 kcal/mol
  • Pose 6: -7.062 kcal/mol
  • Pose 7: -6.94 kcal/mol
  • Pose 8: -6.898 kcal/mol
  • Pose 9: -6.859 kcal/mol
CHEMBL4242416_dpp4
Energy Plot
RMSD Scatter Plot