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

Docking Result

CHEMBL1229855_dpp4

Atoms: 225
Models: 9
Best Energy: -7.352 kcal/mol

Binding Energies:
  • Pose 1: -7.352 kcal/mol
  • Pose 2: -6.675 kcal/mol
  • Pose 3: -6.6 kcal/mol
  • Pose 4: -6.562 kcal/mol
  • Pose 5: -6.236 kcal/mol
  • Pose 6: -6.227 kcal/mol
  • Pose 7: -6.191 kcal/mol
  • Pose 8: -6.137 kcal/mol
  • Pose 9: -6.064 kcal/mol
CHEMBL1229855_dpp4
Energy Plot
RMSD Scatter Plot