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

Docking Result

CHEMBL4858682_dpp4

Atoms: 342
Models: 9
Best Energy: -9.012 kcal/mol

Binding Energies:
  • Pose 1: -9.012 kcal/mol
  • Pose 2: -8.963 kcal/mol
  • Pose 3: -8.455 kcal/mol
  • Pose 4: -8.357 kcal/mol
  • Pose 5: -8.318 kcal/mol
  • Pose 6: -8.224 kcal/mol
  • Pose 7: -8.122 kcal/mol
  • Pose 8: -7.998 kcal/mol
  • Pose 9: -7.946 kcal/mol
CHEMBL4858682_dpp4
Energy Plot
RMSD Scatter Plot