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

Docking Result

CHEMBL5434074_dpp4

Atoms: 315
Models: 9
Best Energy: -8.926 kcal/mol

Binding Energies:
  • Pose 1: -8.926 kcal/mol
  • Pose 2: -8.381 kcal/mol
  • Pose 3: -8.151 kcal/mol
  • Pose 4: -7.817 kcal/mol
  • Pose 5: -7.748 kcal/mol
  • Pose 6: -7.717 kcal/mol
  • Pose 7: -7.688 kcal/mol
  • Pose 8: -7.668 kcal/mol
  • Pose 9: -7.651 kcal/mol
CHEMBL5434074_dpp4
Energy Plot
RMSD Scatter Plot