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

Docking Result

CHEMBL1083287_dpp4

Atoms: 234
Models: 9
Best Energy: -6.985 kcal/mol

Binding Energies:
  • Pose 1: -6.985 kcal/mol
  • Pose 2: -6.953 kcal/mol
  • Pose 3: -6.798 kcal/mol
  • Pose 4: -6.783 kcal/mol
  • Pose 5: -6.682 kcal/mol
  • Pose 6: -6.497 kcal/mol
  • Pose 7: -6.492 kcal/mol
  • Pose 8: -6.396 kcal/mol
  • Pose 9: -6.29 kcal/mol
CHEMBL1083287_dpp4
Energy Plot
RMSD Scatter Plot