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

Docking Result

CHEMBL4786982_dpp4

Atoms: 270
Models: 9
Best Energy: -7.849 kcal/mol

Binding Energies:
  • Pose 1: -7.849 kcal/mol
  • Pose 2: -7.84 kcal/mol
  • Pose 3: -7.712 kcal/mol
  • Pose 4: -7.619 kcal/mol
  • Pose 5: -7.534 kcal/mol
  • Pose 6: -7.446 kcal/mol
  • Pose 7: -7.402 kcal/mol
  • Pose 8: -7.333 kcal/mol
  • Pose 9: -7.263 kcal/mol
CHEMBL4786982_dpp4
Energy Plot
RMSD Scatter Plot