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

Docking Result

CHEMBL3645494_dpp4

Atoms: 306
Models: 9
Best Energy: -8.418 kcal/mol

Binding Energies:
  • Pose 1: -8.418 kcal/mol
  • Pose 2: -8.037 kcal/mol
  • Pose 3: -8.009 kcal/mol
  • Pose 4: -7.929 kcal/mol
  • Pose 5: -7.694 kcal/mol
  • Pose 6: -7.619 kcal/mol
  • Pose 7: -7.619 kcal/mol
  • Pose 8: -7.427 kcal/mol
  • Pose 9: -7.28 kcal/mol
CHEMBL3645494_dpp4
Energy Plot
RMSD Scatter Plot