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

Docking Result

CHEMBL5426720_dpp4

Atoms: 297
Models: 9
Best Energy: -9.085 kcal/mol

Binding Energies:
  • Pose 1: -9.085 kcal/mol
  • Pose 2: -8.289 kcal/mol
  • Pose 3: -7.982 kcal/mol
  • Pose 4: -7.864 kcal/mol
  • Pose 5: -7.843 kcal/mol
  • Pose 6: -7.803 kcal/mol
  • Pose 7: -7.785 kcal/mol
  • Pose 8: -7.697 kcal/mol
  • Pose 9: -7.631 kcal/mol
CHEMBL5426720_dpp4
Energy Plot
RMSD Scatter Plot