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

Docking Result

CHEMBL387552_dpp4

Atoms: 270
Models: 9
Best Energy: -8.936 kcal/mol

Binding Energies:
  • Pose 1: -8.936 kcal/mol
  • Pose 2: -8.202 kcal/mol
  • Pose 3: -8.185 kcal/mol
  • Pose 4: -8.132 kcal/mol
  • Pose 5: -7.96 kcal/mol
  • Pose 6: -7.857 kcal/mol
  • Pose 7: -7.798 kcal/mol
  • Pose 8: -7.651 kcal/mol
  • Pose 9: -7.578 kcal/mol
CHEMBL387552_dpp4
Energy Plot
RMSD Scatter Plot