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

Docking Result

CHEMBL3233567_dpp4

Atoms: 168
Models: 8
Best Energy: -6.741 kcal/mol

Binding Energies:
  • Pose 1: -6.741 kcal/mol
  • Pose 2: -6.212 kcal/mol
  • Pose 3: -6.058 kcal/mol
  • Pose 4: -6.028 kcal/mol
  • Pose 5: -5.79 kcal/mol
  • Pose 6: -5.75 kcal/mol
  • Pose 7: -5.593 kcal/mol
  • Pose 8: -5.583 kcal/mol
CHEMBL3233567_dpp4
Energy Plot
RMSD Scatter Plot