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

Docking Result

CHEMBL194717_dpp4

Atoms: 234
Models: 9
Best Energy: -7.831 kcal/mol

Binding Energies:
  • Pose 1: -7.831 kcal/mol
  • Pose 2: -7.677 kcal/mol
  • Pose 3: -7.656 kcal/mol
  • Pose 4: -7.556 kcal/mol
  • Pose 5: -7.512 kcal/mol
  • Pose 6: -7.507 kcal/mol
  • Pose 7: -7.482 kcal/mol
  • Pose 8: -7.255 kcal/mol
  • Pose 9: -7.195 kcal/mol
CHEMBL194717_dpp4
Energy Plot
RMSD Scatter Plot