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

Docking Result

CHEMBL4458949_dpp4

Atoms: 333
Models: 9
Best Energy: -8.239 kcal/mol

Binding Energies:
  • Pose 1: -8.239 kcal/mol
  • Pose 2: -8.231 kcal/mol
  • Pose 3: -8.112 kcal/mol
  • Pose 4: -7.899 kcal/mol
  • Pose 5: -7.87 kcal/mol
  • Pose 6: -7.647 kcal/mol
  • Pose 7: -7.561 kcal/mol
  • Pose 8: -7.498 kcal/mol
  • Pose 9: -7.375 kcal/mol
CHEMBL4458949_dpp4
Energy Plot
RMSD Scatter Plot