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

Docking Result

CHEMBL5910743_dpp4

Atoms: 288
Models: 9
Best Energy: -9.382 kcal/mol

Binding Energies:
  • Pose 1: -9.382 kcal/mol
  • Pose 2: -9.319 kcal/mol
  • Pose 3: -8.99 kcal/mol
  • Pose 4: -8.944 kcal/mol
  • Pose 5: -8.711 kcal/mol
  • Pose 6: -8.645 kcal/mol
  • Pose 7: -8.602 kcal/mol
  • Pose 8: -8.577 kcal/mol
  • Pose 9: -8.415 kcal/mol
CHEMBL5910743_dpp4
Energy Plot
RMSD Scatter Plot