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

Docking Result

CHEMBL3220152_dpp4

Atoms: 252
Models: 9
Best Energy: -8.578 kcal/mol

Binding Energies:
  • Pose 1: -8.578 kcal/mol
  • Pose 2: -7.768 kcal/mol
  • Pose 3: -7.748 kcal/mol
  • Pose 4: -7.683 kcal/mol
  • Pose 5: -7.662 kcal/mol
  • Pose 6: -7.482 kcal/mol
  • Pose 7: -7.477 kcal/mol
  • Pose 8: -7.442 kcal/mol
  • Pose 9: -7.174 kcal/mol
CHEMBL3220152_dpp4
Energy Plot
RMSD Scatter Plot