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

Docking Result

CHEMBL4858093_dpp4

Atoms: 342
Models: 9
Best Energy: -8.968 kcal/mol

Binding Energies:
  • Pose 1: -8.968 kcal/mol
  • Pose 2: -8.864 kcal/mol
  • Pose 3: -8.841 kcal/mol
  • Pose 4: -8.25 kcal/mol
  • Pose 5: -8.189 kcal/mol
  • Pose 6: -8.097 kcal/mol
  • Pose 7: -8.07 kcal/mol
  • Pose 8: -7.993 kcal/mol
  • Pose 9: -7.98 kcal/mol
CHEMBL4858093_dpp4
Energy Plot
RMSD Scatter Plot