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

Docking Result

CHEMBL90616_dpp4

Atoms: 234
Models: 9
Best Energy: -7.955 kcal/mol

Binding Energies:
  • Pose 1: -7.955 kcal/mol
  • Pose 2: -7.917 kcal/mol
  • Pose 3: -7.767 kcal/mol
  • Pose 4: -7.741 kcal/mol
  • Pose 5: -7.604 kcal/mol
  • Pose 6: -7.524 kcal/mol
  • Pose 7: -7.304 kcal/mol
  • Pose 8: -7.283 kcal/mol
  • Pose 9: -7.002 kcal/mol
CHEMBL90616_dpp4
Energy Plot
RMSD Scatter Plot