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

Docking Result

CHEMBL200103_dpp4

Atoms: 234
Models: 9
Best Energy: -7.431 kcal/mol

Binding Energies:
  • Pose 1: -7.431 kcal/mol
  • Pose 2: -7.413 kcal/mol
  • Pose 3: -7.367 kcal/mol
  • Pose 4: -7.162 kcal/mol
  • Pose 5: -7.147 kcal/mol
  • Pose 6: -7.136 kcal/mol
  • Pose 7: -7 kcal/mol
  • Pose 8: -6.979 kcal/mol
  • Pose 9: -6.887 kcal/mol
CHEMBL200103_dpp4
Energy Plot
RMSD Scatter Plot