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

Docking Result

CHEMBL6162166_dpp4

Atoms: 234
Models: 9
Best Energy: -8.09 kcal/mol

Binding Energies:
  • Pose 1: -8.09 kcal/mol
  • Pose 2: -7.205 kcal/mol
  • Pose 3: -7.119 kcal/mol
  • Pose 4: -7.017 kcal/mol
  • Pose 5: -6.959 kcal/mol
  • Pose 6: -6.881 kcal/mol
  • Pose 7: -6.836 kcal/mol
  • Pose 8: -6.691 kcal/mol
  • Pose 9: -6.549 kcal/mol
CHEMBL6162166_dpp4
Energy Plot
RMSD Scatter Plot