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

Docking Result

CHEMBL2022516_dpp4

Atoms: 324
Models: 9
Best Energy: -8.525 kcal/mol

Binding Energies:
  • Pose 1: -8.525 kcal/mol
  • Pose 2: -8.289 kcal/mol
  • Pose 3: -8.252 kcal/mol
  • Pose 4: -8.131 kcal/mol
  • Pose 5: -8.011 kcal/mol
  • Pose 6: -7.824 kcal/mol
  • Pose 7: -7.806 kcal/mol
  • Pose 8: -7.743 kcal/mol
  • Pose 9: -7.716 kcal/mol
CHEMBL2022516_dpp4
Energy Plot
RMSD Scatter Plot