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

Docking Result

CHEMBL94597_dpp4

Atoms: 198
Models: 9
Best Energy: -6.295 kcal/mol

Binding Energies:
  • Pose 1: -6.295 kcal/mol
  • Pose 2: -6.212 kcal/mol
  • Pose 3: -6.204 kcal/mol
  • Pose 4: -6.036 kcal/mol
  • Pose 5: -6.003 kcal/mol
  • Pose 6: -5.923 kcal/mol
  • Pose 7: -5.907 kcal/mol
  • Pose 8: -5.84 kcal/mol
  • Pose 9: -5.786 kcal/mol
CHEMBL94597_dpp4
Energy Plot
RMSD Scatter Plot