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

Docking Result

CHEMBL2408639_dpp4

Atoms: 306
Models: 9
Best Energy: -8.183 kcal/mol

Binding Energies:
  • Pose 1: -8.183 kcal/mol
  • Pose 2: -7.841 kcal/mol
  • Pose 3: -7.435 kcal/mol
  • Pose 4: -7.41 kcal/mol
  • Pose 5: -7.332 kcal/mol
  • Pose 6: -7.278 kcal/mol
  • Pose 7: -6.986 kcal/mol
  • Pose 8: -6.959 kcal/mol
  • Pose 9: -6.935 kcal/mol
CHEMBL2408639_dpp4
Energy Plot
RMSD Scatter Plot