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

Docking Result

CHEMBL4875769_dpp4

Atoms: 297
Models: 9
Best Energy: -7.746 kcal/mol

Binding Energies:
  • Pose 1: -7.746 kcal/mol
  • Pose 2: -7.505 kcal/mol
  • Pose 3: -7.296 kcal/mol
  • Pose 4: -7.24 kcal/mol
  • Pose 5: -7.195 kcal/mol
  • Pose 6: -7.183 kcal/mol
  • Pose 7: -7.095 kcal/mol
  • Pose 8: -7.087 kcal/mol
  • Pose 9: -7.052 kcal/mol
CHEMBL4875769_dpp4
Energy Plot
RMSD Scatter Plot