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

Docking Result

CHEMBL209768_dpp4

Atoms: 180
Models: 9
Best Energy: -6.335 kcal/mol

Binding Energies:
  • Pose 1: -6.335 kcal/mol
  • Pose 2: -6.265 kcal/mol
  • Pose 3: -6.194 kcal/mol
  • Pose 4: -6.164 kcal/mol
  • Pose 5: -6.146 kcal/mol
  • Pose 6: -6.136 kcal/mol
  • Pose 7: -6.109 kcal/mol
  • Pose 8: -6.049 kcal/mol
  • Pose 9: -5.966 kcal/mol
CHEMBL209768_dpp4
Energy Plot
RMSD Scatter Plot