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

Docking Result

CHEMBL5792963_dpp4

Atoms: 342
Models: 9
Best Energy: -10.242 kcal/mol

Binding Energies:
  • Pose 1: -10.242 kcal/mol
  • Pose 2: -10.012 kcal/mol
  • Pose 3: -9.979 kcal/mol
  • Pose 4: -9.959 kcal/mol
  • Pose 5: -9.865 kcal/mol
  • Pose 6: -9.708 kcal/mol
  • Pose 7: -9.569 kcal/mol
  • Pose 8: -9.548 kcal/mol
  • Pose 9: -9.447 kcal/mol
CHEMBL5792963_dpp4
Energy Plot
RMSD Scatter Plot