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

Docking Result

CHEMBL5431471_dpp4

Atoms: 315
Models: 9
Best Energy: -8.527 kcal/mol

Binding Energies:
  • Pose 1: -8.527 kcal/mol
  • Pose 2: -8.471 kcal/mol
  • Pose 3: -8.039 kcal/mol
  • Pose 4: -7.88 kcal/mol
  • Pose 5: -7.532 kcal/mol
  • Pose 6: -7.437 kcal/mol
  • Pose 7: -7.23 kcal/mol
  • Pose 8: -7.155 kcal/mol
  • Pose 9: -7.118 kcal/mol
CHEMBL5431471_dpp4
Energy Plot
RMSD Scatter Plot