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

Docking Result

CHEMBL217017_dpp4

Atoms: 252
Models: 9
Best Energy: -8.201 kcal/mol

Binding Energies:
  • Pose 1: -8.201 kcal/mol
  • Pose 2: -7.671 kcal/mol
  • Pose 3: -7.582 kcal/mol
  • Pose 4: -7.442 kcal/mol
  • Pose 5: -7.378 kcal/mol
  • Pose 6: -7.343 kcal/mol
  • Pose 7: -7.097 kcal/mol
  • Pose 8: -7.03 kcal/mol
  • Pose 9: -6.961 kcal/mol
CHEMBL217017_dpp4
Energy Plot
RMSD Scatter Plot