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

Docking Result

CHEMBL2069831_dpp4

Atoms: 297
Models: 9
Best Energy: -8.571 kcal/mol

Binding Energies:
  • Pose 1: -8.571 kcal/mol
  • Pose 2: -8.255 kcal/mol
  • Pose 3: -8.093 kcal/mol
  • Pose 4: -7.945 kcal/mol
  • Pose 5: -7.727 kcal/mol
  • Pose 6: -7.695 kcal/mol
  • Pose 7: -7.69 kcal/mol
  • Pose 8: -7.637 kcal/mol
  • Pose 9: -7.479 kcal/mol
CHEMBL2069831_dpp4
Energy Plot
RMSD Scatter Plot