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

Docking Result

CHEMBL34764_dpp4

Atoms: 279
Models: 9
Best Energy: -8.179 kcal/mol

Binding Energies:
  • Pose 1: -8.179 kcal/mol
  • Pose 2: -8.174 kcal/mol
  • Pose 3: -7.851 kcal/mol
  • Pose 4: -7.83 kcal/mol
  • Pose 5: -7.709 kcal/mol
  • Pose 6: -7.627 kcal/mol
  • Pose 7: -7.599 kcal/mol
  • Pose 8: -7.563 kcal/mol
  • Pose 9: -7.53 kcal/mol
CHEMBL34764_dpp4
Energy Plot
RMSD Scatter Plot