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

Docking Result

CHEMBL2069842_dpp4

Atoms: 315
Models: 9
Best Energy: -8.804 kcal/mol

Binding Energies:
  • Pose 1: -8.804 kcal/mol
  • Pose 2: -8.769 kcal/mol
  • Pose 3: -8.627 kcal/mol
  • Pose 4: -8.47 kcal/mol
  • Pose 5: -8.427 kcal/mol
  • Pose 6: -8.424 kcal/mol
  • Pose 7: -8.396 kcal/mol
  • Pose 8: -8.366 kcal/mol
  • Pose 9: -8.191 kcal/mol
CHEMBL2069842_dpp4
Energy Plot
RMSD Scatter Plot