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

Docking Result

CHEMBL206496_dpp4

Atoms: 153
Models: 9
Best Energy: -6.485 kcal/mol

Binding Energies:
  • Pose 1: -6.485 kcal/mol
  • Pose 2: -6.391 kcal/mol
  • Pose 3: -6.351 kcal/mol
  • Pose 4: -6.309 kcal/mol
  • Pose 5: -6.308 kcal/mol
  • Pose 6: -6.288 kcal/mol
  • Pose 7: -6.184 kcal/mol
  • Pose 8: -6.071 kcal/mol
  • Pose 9: -5.703 kcal/mol
CHEMBL206496_dpp4
Energy Plot
RMSD Scatter Plot