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

Docking Result

CHEMBL5265966_dpp4

Atoms: 180
Models: 9
Best Energy: -7.013 kcal/mol

Binding Energies:
  • Pose 1: -7.013 kcal/mol
  • Pose 2: -6.97 kcal/mol
  • Pose 3: -6.898 kcal/mol
  • Pose 4: -6.714 kcal/mol
  • Pose 5: -6.57 kcal/mol
  • Pose 6: -6.51 kcal/mol
  • Pose 7: -6.373 kcal/mol
  • Pose 8: -6.367 kcal/mol
  • Pose 9: -6.238 kcal/mol
CHEMBL5265966_dpp4
Energy Plot
RMSD Scatter Plot