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

Docking Result

CHEMBL3093923_dpp4

Atoms: 198
Models: 9
Best Energy: -7.361 kcal/mol

Binding Energies:
  • Pose 1: -7.361 kcal/mol
  • Pose 2: -7.257 kcal/mol
  • Pose 3: -7.245 kcal/mol
  • Pose 4: -7.229 kcal/mol
  • Pose 5: -7.019 kcal/mol
  • Pose 6: -7.008 kcal/mol
  • Pose 7: -6.969 kcal/mol
  • Pose 8: -6.94 kcal/mol
  • Pose 9: -6.927 kcal/mol
CHEMBL3093923_dpp4
Energy Plot
RMSD Scatter Plot