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

Docking Result

CHEMBL5749167_dpp4

Atoms: 288
Models: 9
Best Energy: -8.493 kcal/mol

Binding Energies:
  • Pose 1: -8.493 kcal/mol
  • Pose 2: -8.303 kcal/mol
  • Pose 3: -8.068 kcal/mol
  • Pose 4: -7.989 kcal/mol
  • Pose 5: -7.981 kcal/mol
  • Pose 6: -7.952 kcal/mol
  • Pose 7: -7.839 kcal/mol
  • Pose 8: -7.813 kcal/mol
  • Pose 9: -7.749 kcal/mol
CHEMBL5749167_dpp4
Energy Plot
RMSD Scatter Plot