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

Docking Result

CHEMBL1082707_dpp4

Atoms: 243
Models: 9
Best Energy: -8.131 kcal/mol

Binding Energies:
  • Pose 1: -8.131 kcal/mol
  • Pose 2: -7.497 kcal/mol
  • Pose 3: -7.297 kcal/mol
  • Pose 4: -7.023 kcal/mol
  • Pose 5: -6.967 kcal/mol
  • Pose 6: -6.961 kcal/mol
  • Pose 7: -6.85 kcal/mol
  • Pose 8: -6.799 kcal/mol
  • Pose 9: -6.778 kcal/mol
CHEMBL1082707_dpp4
Energy Plot
RMSD Scatter Plot