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

Docking Result

CHEMBL395004_dpp4

Atoms: 342
Models: 9
Best Energy: -6.295 kcal/mol

Binding Energies:
  • Pose 1: -6.295 kcal/mol
  • Pose 2: -5.958 kcal/mol
  • Pose 3: -5.92 kcal/mol
  • Pose 4: -5.84 kcal/mol
  • Pose 5: -5.79 kcal/mol
  • Pose 6: -5.745 kcal/mol
  • Pose 7: -5.729 kcal/mol
  • Pose 8: -5.608 kcal/mol
  • Pose 9: -5.391 kcal/mol
CHEMBL395004_dpp4
Energy Plot
RMSD Scatter Plot