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

Docking Result

CHEMBL5291433_dpp4

Atoms: 207
Models: 9
Best Energy: -6.582 kcal/mol

Binding Energies:
  • Pose 1: -6.582 kcal/mol
  • Pose 2: -6.561 kcal/mol
  • Pose 3: -6.463 kcal/mol
  • Pose 4: -6.198 kcal/mol
  • Pose 5: -6.163 kcal/mol
  • Pose 6: -6.15 kcal/mol
  • Pose 7: -6.136 kcal/mol
  • Pose 8: -6.092 kcal/mol
  • Pose 9: -6.02 kcal/mol
CHEMBL5291433_dpp4
Energy Plot
RMSD Scatter Plot