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

Docking Result

CHEMBL191577_dpp4

Atoms: 270
Models: 9
Best Energy: -7.209 kcal/mol

Binding Energies:
  • Pose 1: -7.209 kcal/mol
  • Pose 2: -6.896 kcal/mol
  • Pose 3: -6.879 kcal/mol
  • Pose 4: -6.767 kcal/mol
  • Pose 5: -6.527 kcal/mol
  • Pose 6: -6.481 kcal/mol
  • Pose 7: -6.345 kcal/mol
  • Pose 8: -6.188 kcal/mol
  • Pose 9: -6.174 kcal/mol
CHEMBL191577_dpp4
Energy Plot
RMSD Scatter Plot