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

Docking Result

CHEMBL3084955_dpp4

Atoms: 306
Models: 9
Best Energy: -7.747 kcal/mol

Binding Energies:
  • Pose 1: -7.747 kcal/mol
  • Pose 2: -7.586 kcal/mol
  • Pose 3: -7.398 kcal/mol
  • Pose 4: -7.24 kcal/mol
  • Pose 5: -7.169 kcal/mol
  • Pose 6: -7.135 kcal/mol
  • Pose 7: -7.118 kcal/mol
  • Pose 8: -7.007 kcal/mol
  • Pose 9: -6.995 kcal/mol
CHEMBL3084955_dpp4
Energy Plot
RMSD Scatter Plot