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

Docking Result

CHEMBL234986_dpp4

Atoms: 192
Models: 8
Best Energy: -8.487 kcal/mol

Binding Energies:
  • Pose 1: -8.487 kcal/mol
  • Pose 2: -8.3 kcal/mol
  • Pose 3: -8.173 kcal/mol
  • Pose 4: -8.153 kcal/mol
  • Pose 5: -7.94 kcal/mol
  • Pose 6: -7.914 kcal/mol
  • Pose 7: -7.841 kcal/mol
  • Pose 8: -7.714 kcal/mol
CHEMBL234986_dpp4
Energy Plot
RMSD Scatter Plot