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

Docking Result

CHEMBL176121_dpp4

Atoms: 135
Models: 9
Best Energy: -6.337 kcal/mol

Binding Energies:
  • Pose 1: -6.337 kcal/mol
  • Pose 2: -6.32 kcal/mol
  • Pose 3: -6.264 kcal/mol
  • Pose 4: -6.206 kcal/mol
  • Pose 5: -6.059 kcal/mol
  • Pose 6: -6.003 kcal/mol
  • Pose 7: -5.902 kcal/mol
  • Pose 8: -5.608 kcal/mol
  • Pose 9: -5.497 kcal/mol
CHEMBL176121_dpp4
Energy Plot
RMSD Scatter Plot