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

Docking Result

CHEMBL5431284_dpp4

Atoms: 351
Models: 9
Best Energy: -9.569 kcal/mol

Binding Energies:
  • Pose 1: -9.569 kcal/mol
  • Pose 2: -9.275 kcal/mol
  • Pose 3: -8.989 kcal/mol
  • Pose 4: -8.974 kcal/mol
  • Pose 5: -8.808 kcal/mol
  • Pose 6: -8.704 kcal/mol
  • Pose 7: -8.64 kcal/mol
  • Pose 8: -8.593 kcal/mol
  • Pose 9: -8.418 kcal/mol
CHEMBL5431284_dpp4
Energy Plot
RMSD Scatter Plot