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

Docking Result

CHEMBL6160468_dpp4

Atoms: 189
Models: 9
Best Energy: -6.239 kcal/mol

Binding Energies:
  • Pose 1: -6.239 kcal/mol
  • Pose 2: -6.232 kcal/mol
  • Pose 3: -6.204 kcal/mol
  • Pose 4: -6.186 kcal/mol
  • Pose 5: -6.169 kcal/mol
  • Pose 6: -6.081 kcal/mol
  • Pose 7: -5.861 kcal/mol
  • Pose 8: -5.825 kcal/mol
  • Pose 9: -5.809 kcal/mol
CHEMBL6160468_dpp4
Energy Plot
RMSD Scatter Plot