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

Docking Result

CHEMBL2159176_dpp4

Atoms: 252
Models: 9
Best Energy: -7.902 kcal/mol

Binding Energies:
  • Pose 1: -7.902 kcal/mol
  • Pose 2: -7.618 kcal/mol
  • Pose 3: -7.229 kcal/mol
  • Pose 4: -7.098 kcal/mol
  • Pose 5: -7.014 kcal/mol
  • Pose 6: -7.013 kcal/mol
  • Pose 7: -6.93 kcal/mol
  • Pose 8: -6.799 kcal/mol
  • Pose 9: -6.779 kcal/mol
CHEMBL2159176_dpp4
Energy Plot
RMSD Scatter Plot