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

Docking Result

CHEMBL37289_dpp4

Atoms: 261
Models: 9
Best Energy: -7.658 kcal/mol

Binding Energies:
  • Pose 1: -7.658 kcal/mol
  • Pose 2: -7.476 kcal/mol
  • Pose 3: -7.07 kcal/mol
  • Pose 4: -6.981 kcal/mol
  • Pose 5: -6.917 kcal/mol
  • Pose 6: -6.827 kcal/mol
  • Pose 7: -6.715 kcal/mol
  • Pose 8: -6.7 kcal/mol
  • Pose 9: -6.5 kcal/mol
CHEMBL37289_dpp4
Energy Plot
RMSD Scatter Plot