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

Docking Result

CHEMBL2086608_dpp4

Atoms: 288
Models: 9
Best Energy: -8.211 kcal/mol

Binding Energies:
  • Pose 1: -8.211 kcal/mol
  • Pose 2: -8.081 kcal/mol
  • Pose 3: -8.067 kcal/mol
  • Pose 4: -7.939 kcal/mol
  • Pose 5: -7.915 kcal/mol
  • Pose 6: -7.869 kcal/mol
  • Pose 7: -7.795 kcal/mol
  • Pose 8: -7.607 kcal/mol
  • Pose 9: -7.392 kcal/mol
CHEMBL2086608_dpp4
Energy Plot
RMSD Scatter Plot