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

Docking Result

CHEMBL400338_dpp4

Atoms: 261
Models: 9
Best Energy: -7.474 kcal/mol

Binding Energies:
  • Pose 1: -7.474 kcal/mol
  • Pose 2: -7.461 kcal/mol
  • Pose 3: -7.39 kcal/mol
  • Pose 4: -7.206 kcal/mol
  • Pose 5: -7.11 kcal/mol
  • Pose 6: -6.92 kcal/mol
  • Pose 7: -6.912 kcal/mol
  • Pose 8: -6.871 kcal/mol
  • Pose 9: -6.864 kcal/mol
CHEMBL400338_dpp4
Energy Plot
RMSD Scatter Plot