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

Docking Result

CHEMBL3933623_dpp4

Atoms: 360
Models: 9
Best Energy: -7.384 kcal/mol

Binding Energies:
  • Pose 1: -7.384 kcal/mol
  • Pose 2: -7.339 kcal/mol
  • Pose 3: -7.232 kcal/mol
  • Pose 4: -7.207 kcal/mol
  • Pose 5: -7.154 kcal/mol
  • Pose 6: -6.99 kcal/mol
  • Pose 7: -6.988 kcal/mol
  • Pose 8: -6.983 kcal/mol
  • Pose 9: -6.908 kcal/mol
CHEMBL3933623_dpp4
Energy Plot
RMSD Scatter Plot