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

Docking Result

CHEMBL1812727_dpp4

Atoms: 198
Models: 9
Best Energy: -7.405 kcal/mol

Binding Energies:
  • Pose 1: -7.405 kcal/mol
  • Pose 2: -7.333 kcal/mol
  • Pose 3: -7.031 kcal/mol
  • Pose 4: -6.925 kcal/mol
  • Pose 5: -6.866 kcal/mol
  • Pose 6: -6.767 kcal/mol
  • Pose 7: -6.616 kcal/mol
  • Pose 8: -6.464 kcal/mol
  • Pose 9: -6.244 kcal/mol
CHEMBL1812727_dpp4
Energy Plot
RMSD Scatter Plot