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

Docking Result

CHEMBL175034_dpp4

Atoms: 180
Models: 9
Best Energy: -6.669 kcal/mol

Binding Energies:
  • Pose 1: -6.669 kcal/mol
  • Pose 2: -6.646 kcal/mol
  • Pose 3: -6.522 kcal/mol
  • Pose 4: -6.461 kcal/mol
  • Pose 5: -6.399 kcal/mol
  • Pose 6: -6.326 kcal/mol
  • Pose 7: -6.305 kcal/mol
  • Pose 8: -6.212 kcal/mol
  • Pose 9: -6.17 kcal/mol
CHEMBL175034_dpp4
Energy Plot
RMSD Scatter Plot