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

Docking Result

CHEMBL2086611_dpp4

Atoms: 207
Models: 9
Best Energy: -7.403 kcal/mol

Binding Energies:
  • Pose 1: -7.403 kcal/mol
  • Pose 2: -7.36 kcal/mol
  • Pose 3: -7.285 kcal/mol
  • Pose 4: -7.189 kcal/mol
  • Pose 5: -7.15 kcal/mol
  • Pose 6: -7.067 kcal/mol
  • Pose 7: -7.059 kcal/mol
  • Pose 8: -7.051 kcal/mol
  • Pose 9: -7.05 kcal/mol
CHEMBL2086611_dpp4
Energy Plot
RMSD Scatter Plot