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

Docking Result

CHEMBL1085595_dpp4

Atoms: 261
Models: 9
Best Energy: -7.295 kcal/mol

Binding Energies:
  • Pose 1: -7.295 kcal/mol
  • Pose 2: -7.265 kcal/mol
  • Pose 3: -7.047 kcal/mol
  • Pose 4: -7.033 kcal/mol
  • Pose 5: -6.977 kcal/mol
  • Pose 6: -6.921 kcal/mol
  • Pose 7: -6.914 kcal/mol
  • Pose 8: -6.885 kcal/mol
  • Pose 9: -6.798 kcal/mol
CHEMBL1085595_dpp4
Energy Plot
RMSD Scatter Plot