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

Docking Result

CHEMBL1814743_dpp4

Atoms: 351
Models: 9
Best Energy: -9.829 kcal/mol

Binding Energies:
  • Pose 1: -9.829 kcal/mol
  • Pose 2: -9.484 kcal/mol
  • Pose 3: -9.202 kcal/mol
  • Pose 4: -9.191 kcal/mol
  • Pose 5: -9.111 kcal/mol
  • Pose 6: -8.927 kcal/mol
  • Pose 7: -8.9 kcal/mol
  • Pose 8: -8.851 kcal/mol
  • Pose 9: -8.772 kcal/mol
CHEMBL1814743_dpp4
Energy Plot
RMSD Scatter Plot