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

Docking Result

CHEMBL179289_dpp4

Atoms: 234
Models: 9
Best Energy: -7.652 kcal/mol

Binding Energies:
  • Pose 1: -7.652 kcal/mol
  • Pose 2: -7.6 kcal/mol
  • Pose 3: -7.585 kcal/mol
  • Pose 4: -7.5 kcal/mol
  • Pose 5: -7.49 kcal/mol
  • Pose 6: -7.453 kcal/mol
  • Pose 7: -7.397 kcal/mol
  • Pose 8: -7.294 kcal/mol
  • Pose 9: -7.293 kcal/mol
CHEMBL179289_dpp4
Energy Plot
RMSD Scatter Plot