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

Docking Result

CHEMBL3233548_dpp4

Atoms: 207
Models: 9
Best Energy: -7.68 kcal/mol

Binding Energies:
  • Pose 1: -7.68 kcal/mol
  • Pose 2: -7.675 kcal/mol
  • Pose 3: -7.648 kcal/mol
  • Pose 4: -7.624 kcal/mol
  • Pose 5: -7.305 kcal/mol
  • Pose 6: -7.285 kcal/mol
  • Pose 7: -7.078 kcal/mol
  • Pose 8: -7.028 kcal/mol
  • Pose 9: -6.973 kcal/mol
CHEMBL3233548_dpp4
Energy Plot
RMSD Scatter Plot