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

Docking Result

CHEMBL1683096_dpp4

Atoms: 279
Models: 9
Best Energy: -8.201 kcal/mol

Binding Energies:
  • Pose 1: -8.201 kcal/mol
  • Pose 2: -8.183 kcal/mol
  • Pose 3: -8.116 kcal/mol
  • Pose 4: -8.047 kcal/mol
  • Pose 5: -7.789 kcal/mol
  • Pose 6: -7.775 kcal/mol
  • Pose 7: -7.682 kcal/mol
  • Pose 8: -7.547 kcal/mol
  • Pose 9: -7.477 kcal/mol
CHEMBL1683096_dpp4
Energy Plot
RMSD Scatter Plot