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

Docking Result

CHEMBL216855_dpp4

Atoms: 234
Models: 9
Best Energy: -8.062 kcal/mol

Binding Energies:
  • Pose 1: -8.062 kcal/mol
  • Pose 2: -7.83 kcal/mol
  • Pose 3: -7.751 kcal/mol
  • Pose 4: -7.738 kcal/mol
  • Pose 5: -7.519 kcal/mol
  • Pose 6: -7.511 kcal/mol
  • Pose 7: -7.471 kcal/mol
  • Pose 8: -7.378 kcal/mol
  • Pose 9: -7.347 kcal/mol
CHEMBL216855_dpp4
Energy Plot
RMSD Scatter Plot