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

Docking Result

CHEMBL5270627_dpp4

Atoms: 279
Models: 9
Best Energy: -7.718 kcal/mol

Binding Energies:
  • Pose 1: -7.718 kcal/mol
  • Pose 2: -7.492 kcal/mol
  • Pose 3: -7.259 kcal/mol
  • Pose 4: -7.226 kcal/mol
  • Pose 5: -7.18 kcal/mol
  • Pose 6: -7.114 kcal/mol
  • Pose 7: -7.017 kcal/mol
  • Pose 8: -6.928 kcal/mol
  • Pose 9: -6.778 kcal/mol
CHEMBL5270627_dpp4
Energy Plot
RMSD Scatter Plot