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

Docking Result

CHEMBL236085_dpp4

Atoms: 306
Models: 9
Best Energy: -9.454 kcal/mol

Binding Energies:
  • Pose 1: -9.454 kcal/mol
  • Pose 2: -9.137 kcal/mol
  • Pose 3: -9.029 kcal/mol
  • Pose 4: -9.01 kcal/mol
  • Pose 5: -8.981 kcal/mol
  • Pose 6: -8.928 kcal/mol
  • Pose 7: -8.864 kcal/mol
  • Pose 8: -8.757 kcal/mol
  • Pose 9: -8.748 kcal/mol
CHEMBL236085_dpp4
Energy Plot
RMSD Scatter Plot