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

Docking Result

CHEMBL473176_dpp4

Atoms: 297
Models: 9
Best Energy: -8.218 kcal/mol

Binding Energies:
  • Pose 1: -8.218 kcal/mol
  • Pose 2: -7.933 kcal/mol
  • Pose 3: -7.725 kcal/mol
  • Pose 4: -7.631 kcal/mol
  • Pose 5: -7.426 kcal/mol
  • Pose 6: -7.399 kcal/mol
  • Pose 7: -7.268 kcal/mol
  • Pose 8: -7.114 kcal/mol
  • Pose 9: -6.909 kcal/mol
CHEMBL473176_dpp4
Energy Plot
RMSD Scatter Plot