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

Docking Result

CHEMBL559602_dpp4

Atoms: 297
Models: 9
Best Energy: -7.5 kcal/mol

Binding Energies:
  • Pose 1: -7.5 kcal/mol
  • Pose 2: -7.384 kcal/mol
  • Pose 3: -7.371 kcal/mol
  • Pose 4: -7.104 kcal/mol
  • Pose 5: -7.101 kcal/mol
  • Pose 6: -7.058 kcal/mol
  • Pose 7: -6.974 kcal/mol
  • Pose 8: -6.973 kcal/mol
  • Pose 9: -6.936 kcal/mol
CHEMBL559602_dpp4
Energy Plot
RMSD Scatter Plot