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

Docking Result

CHEMBL2179406_dpp4

Atoms: 248
Models: 8
Best Energy: -8.426 kcal/mol

Binding Energies:
  • Pose 1: -8.426 kcal/mol
  • Pose 2: -8.361 kcal/mol
  • Pose 3: -8.158 kcal/mol
  • Pose 4: -8.015 kcal/mol
  • Pose 5: -7.83 kcal/mol
  • Pose 6: -7.495 kcal/mol
  • Pose 7: -7.354 kcal/mol
  • Pose 8: -7.345 kcal/mol
CHEMBL2179406_dpp4
Energy Plot
RMSD Scatter Plot