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

Docking Result

CHEMBL2069828_dpp4

Atoms: 288
Models: 9
Best Energy: -8.755 kcal/mol

Binding Energies:
  • Pose 1: -8.755 kcal/mol
  • Pose 2: -8.448 kcal/mol
  • Pose 3: -8.267 kcal/mol
  • Pose 4: -8.156 kcal/mol
  • Pose 5: -8.097 kcal/mol
  • Pose 6: -8.01 kcal/mol
  • Pose 7: -7.989 kcal/mol
  • Pose 8: -7.885 kcal/mol
  • Pose 9: -7.826 kcal/mol
CHEMBL2069828_dpp4
Energy Plot
RMSD Scatter Plot