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

Docking Result

CHEMBL4876026_dpp4

Atoms: 486
Models: 9
Best Energy: -8.518 kcal/mol

Binding Energies:
  • Pose 1: -8.518 kcal/mol
  • Pose 2: -8.347 kcal/mol
  • Pose 3: -8.239 kcal/mol
  • Pose 4: -8.093 kcal/mol
  • Pose 5: -8.09 kcal/mol
  • Pose 6: -8.062 kcal/mol
  • Pose 7: -8.06 kcal/mol
  • Pose 8: -7.984 kcal/mol
  • Pose 9: -7.913 kcal/mol
CHEMBL4876026_dpp4
Energy Plot
RMSD Scatter Plot