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

Docking Result

CHEMBL439382_dpp4

Atoms: 351
Models: 9
Best Energy: -8.516 kcal/mol

Binding Energies:
  • Pose 1: -8.516 kcal/mol
  • Pose 2: -8.446 kcal/mol
  • Pose 3: -8.328 kcal/mol
  • Pose 4: -8.294 kcal/mol
  • Pose 5: -8.178 kcal/mol
  • Pose 6: -8.052 kcal/mol
  • Pose 7: -7.961 kcal/mol
  • Pose 8: -7.907 kcal/mol
  • Pose 9: -7.899 kcal/mol
CHEMBL439382_dpp4
Energy Plot
RMSD Scatter Plot