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

Docking Result

CHEMBL4516959_dpp4

Atoms: 306
Models: 9
Best Energy: -8.59 kcal/mol

Binding Energies:
  • Pose 1: -8.59 kcal/mol
  • Pose 2: -7.933 kcal/mol
  • Pose 3: -7.931 kcal/mol
  • Pose 4: -7.923 kcal/mol
  • Pose 5: -7.895 kcal/mol
  • Pose 6: -7.86 kcal/mol
  • Pose 7: -7.813 kcal/mol
  • Pose 8: -7.79 kcal/mol
  • Pose 9: -7.786 kcal/mol
CHEMBL4516959_dpp4
Energy Plot
RMSD Scatter Plot