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

Docking Result

CHEMBL2385284_dpp4

Atoms: 234
Models: 9
Best Energy: -8.339 kcal/mol

Binding Energies:
  • Pose 1: -8.339 kcal/mol
  • Pose 2: -8.097 kcal/mol
  • Pose 3: -8.006 kcal/mol
  • Pose 4: -8 kcal/mol
  • Pose 5: -7.996 kcal/mol
  • Pose 6: -7.982 kcal/mol
  • Pose 7: -7.792 kcal/mol
  • Pose 8: -7.782 kcal/mol
  • Pose 9: -7.759 kcal/mol
CHEMBL2385284_dpp4
Energy Plot
RMSD Scatter Plot