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

Docking Result

CHEMBL3805179_dpp4

Atoms: 306
Models: 9
Best Energy: -9.158 kcal/mol

Binding Energies:
  • Pose 1: -9.158 kcal/mol
  • Pose 2: -9.156 kcal/mol
  • Pose 3: -8.792 kcal/mol
  • Pose 4: -8.673 kcal/mol
  • Pose 5: -8.555 kcal/mol
  • Pose 6: -8.405 kcal/mol
  • Pose 7: -8.404 kcal/mol
  • Pose 8: -8.284 kcal/mol
  • Pose 9: -8.232 kcal/mol
CHEMBL3805179_dpp4
Energy Plot
RMSD Scatter Plot