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

Docking Result

CHEMBL28_dpp4

Atoms: 207
Models: 9
Best Energy: -7.915 kcal/mol

Binding Energies:
  • Pose 1: -7.915 kcal/mol
  • Pose 2: -7.592 kcal/mol
  • Pose 3: -7.57 kcal/mol
  • Pose 4: -7.435 kcal/mol
  • Pose 5: -7.083 kcal/mol
  • Pose 6: -7.007 kcal/mol
  • Pose 7: -7.002 kcal/mol
  • Pose 8: -6.899 kcal/mol
  • Pose 9: -6.836 kcal/mol
CHEMBL28_dpp4
Energy Plot
RMSD Scatter Plot