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

Docking Result

CHEMBL3805629_dpp4

Atoms: 279
Models: 9
Best Energy: -8.402 kcal/mol

Binding Energies:
  • Pose 1: -8.402 kcal/mol
  • Pose 2: -8.365 kcal/mol
  • Pose 3: -8.241 kcal/mol
  • Pose 4: -8.219 kcal/mol
  • Pose 5: -8.197 kcal/mol
  • Pose 6: -8.178 kcal/mol
  • Pose 7: -8.158 kcal/mol
  • Pose 8: -7.991 kcal/mol
  • Pose 9: -7.814 kcal/mol
CHEMBL3805629_dpp4
Energy Plot
RMSD Scatter Plot