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

Docking Result

CHEMBL5829004_dpp4

Atoms: 234
Models: 9
Best Energy: -8.466 kcal/mol

Binding Energies:
  • Pose 1: -8.466 kcal/mol
  • Pose 2: -8.414 kcal/mol
  • Pose 3: -8.314 kcal/mol
  • Pose 4: -8.161 kcal/mol
  • Pose 5: -8.043 kcal/mol
  • Pose 6: -8.003 kcal/mol
  • Pose 7: -7.883 kcal/mol
  • Pose 8: -7.79 kcal/mol
  • Pose 9: -7.743 kcal/mol
CHEMBL5829004_dpp4
Energy Plot
RMSD Scatter Plot