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

Docking Result

CHEMBL484528_dpp4

Atoms: 297
Models: 9
Best Energy: -8.588 kcal/mol

Binding Energies:
  • Pose 1: -8.588 kcal/mol
  • Pose 2: -8.557 kcal/mol
  • Pose 3: -8.512 kcal/mol
  • Pose 4: -8.508 kcal/mol
  • Pose 5: -8.424 kcal/mol
  • Pose 6: -8.4 kcal/mol
  • Pose 7: -8.235 kcal/mol
  • Pose 8: -8.234 kcal/mol
  • Pose 9: -8.222 kcal/mol
CHEMBL484528_dpp4
Energy Plot
RMSD Scatter Plot