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

Docking Result

CHEMBL2178957_dpp4

Atoms: 342
Models: 9
Best Energy: -9.156 kcal/mol

Binding Energies:
  • Pose 1: -9.156 kcal/mol
  • Pose 2: -8.47 kcal/mol
  • Pose 3: -8.34 kcal/mol
  • Pose 4: -8.155 kcal/mol
  • Pose 5: -8.117 kcal/mol
  • Pose 6: -8.036 kcal/mol
  • Pose 7: -8.017 kcal/mol
  • Pose 8: -7.935 kcal/mol
  • Pose 9: -7.879 kcal/mol
CHEMBL2178957_dpp4
Energy Plot
RMSD Scatter Plot