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

Docking Result

CHEMBL5414025_dpp4

Atoms: 252
Models: 9
Best Energy: -6.659 kcal/mol

Binding Energies:
  • Pose 1: -6.659 kcal/mol
  • Pose 2: -6.553 kcal/mol
  • Pose 3: -6.323 kcal/mol
  • Pose 4: -6.163 kcal/mol
  • Pose 5: -6.138 kcal/mol
  • Pose 6: -6.136 kcal/mol
  • Pose 7: -6.108 kcal/mol
  • Pose 8: -6.083 kcal/mol
  • Pose 9: -5.922 kcal/mol
CHEMBL5414025_dpp4
Energy Plot
RMSD Scatter Plot