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

Docking Result

CHEMBL2425080_dpp4

Atoms: 234
Models: 9
Best Energy: -7.751 kcal/mol

Binding Energies:
  • Pose 1: -7.751 kcal/mol
  • Pose 2: -7.417 kcal/mol
  • Pose 3: -7.256 kcal/mol
  • Pose 4: -7.079 kcal/mol
  • Pose 5: -7.068 kcal/mol
  • Pose 6: -7.013 kcal/mol
  • Pose 7: -6.973 kcal/mol
  • Pose 8: -6.877 kcal/mol
  • Pose 9: -6.789 kcal/mol
CHEMBL2425080_dpp4
Energy Plot
RMSD Scatter Plot