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

Docking Result

CHEMBL391331_dpp4

Atoms: 171
Models: 9
Best Energy: -6.124 kcal/mol

Binding Energies:
  • Pose 1: -6.124 kcal/mol
  • Pose 2: -6.108 kcal/mol
  • Pose 3: -5.994 kcal/mol
  • Pose 4: -5.935 kcal/mol
  • Pose 5: -5.818 kcal/mol
  • Pose 6: -5.764 kcal/mol
  • Pose 7: -5.746 kcal/mol
  • Pose 8: -5.719 kcal/mol
  • Pose 9: -5.709 kcal/mol
CHEMBL391331_dpp4
Energy Plot
RMSD Scatter Plot