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

Docking Result

CHEMBL1778901_dpp4

Atoms: 234
Models: 9
Best Energy: -7.512 kcal/mol

Binding Energies:
  • Pose 1: -7.512 kcal/mol
  • Pose 2: -7.353 kcal/mol
  • Pose 3: -7.278 kcal/mol
  • Pose 4: -7.269 kcal/mol
  • Pose 5: -7.037 kcal/mol
  • Pose 6: -7.006 kcal/mol
  • Pose 7: -6.983 kcal/mol
  • Pose 8: -6.867 kcal/mol
  • Pose 9: -6.756 kcal/mol
CHEMBL1778901_dpp4
Energy Plot
RMSD Scatter Plot