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

Docking Result

CHEMBL236507_dpp4

Atoms: 306
Models: 9
Best Energy: -8.611 kcal/mol

Binding Energies:
  • Pose 1: -8.611 kcal/mol
  • Pose 2: -8.338 kcal/mol
  • Pose 3: -8.273 kcal/mol
  • Pose 4: -8.237 kcal/mol
  • Pose 5: -8.154 kcal/mol
  • Pose 6: -7.932 kcal/mol
  • Pose 7: -7.879 kcal/mol
  • Pose 8: -7.56 kcal/mol
  • Pose 9: -7.555 kcal/mol
CHEMBL236507_dpp4
Energy Plot
RMSD Scatter Plot