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

Docking Result

CHEMBL4453917_dpp4

Atoms: 264
Models: 8
Best Energy: -8.263 kcal/mol

Binding Energies:
  • Pose 1: -8.263 kcal/mol
  • Pose 2: -7.449 kcal/mol
  • Pose 3: -7.113 kcal/mol
  • Pose 4: -7.106 kcal/mol
  • Pose 5: -7.084 kcal/mol
  • Pose 6: -7.011 kcal/mol
  • Pose 7: -6.958 kcal/mol
  • Pose 8: -6.897 kcal/mol
CHEMBL4453917_dpp4
Energy Plot
RMSD Scatter Plot