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

Docking Result

CHEMBL550321_dpp4

Atoms: 279
Models: 9
Best Energy: -7.221 kcal/mol

Binding Energies:
  • Pose 1: -7.221 kcal/mol
  • Pose 2: -7.139 kcal/mol
  • Pose 3: -7.08 kcal/mol
  • Pose 4: -7.019 kcal/mol
  • Pose 5: -7.001 kcal/mol
  • Pose 6: -6.962 kcal/mol
  • Pose 7: -6.615 kcal/mol
  • Pose 8: -6.612 kcal/mol
  • Pose 9: -6.527 kcal/mol
CHEMBL550321_dpp4
Energy Plot
RMSD Scatter Plot