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

Docking Result

CHEMBL4856604_dpp4

Atoms: 333
Models: 9
Best Energy: -8.55 kcal/mol

Binding Energies:
  • Pose 1: -8.55 kcal/mol
  • Pose 2: -8.238 kcal/mol
  • Pose 3: -8.093 kcal/mol
  • Pose 4: -7.957 kcal/mol
  • Pose 5: -7.897 kcal/mol
  • Pose 6: -7.888 kcal/mol
  • Pose 7: -7.787 kcal/mol
  • Pose 8: -7.714 kcal/mol
  • Pose 9: -7.698 kcal/mol
CHEMBL4856604_dpp4
Energy Plot
RMSD Scatter Plot