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

Docking Result

CHEMBL5275162_dpp4

Atoms: 279
Models: 9
Best Energy: -7.232 kcal/mol

Binding Energies:
  • Pose 1: -7.232 kcal/mol
  • Pose 2: -7.177 kcal/mol
  • Pose 3: -7.174 kcal/mol
  • Pose 4: -7.155 kcal/mol
  • Pose 5: -7.109 kcal/mol
  • Pose 6: -7.073 kcal/mol
  • Pose 7: -7.054 kcal/mol
  • Pose 8: -7.043 kcal/mol
  • Pose 9: -6.845 kcal/mol
CHEMBL5275162_dpp4
Energy Plot
RMSD Scatter Plot