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

Docking Result

CHEMBL1683100_dpp4

Atoms: 234
Models: 9
Best Energy: -7.858 kcal/mol

Binding Energies:
  • Pose 1: -7.858 kcal/mol
  • Pose 2: -7.539 kcal/mol
  • Pose 3: -7.462 kcal/mol
  • Pose 4: -7.384 kcal/mol
  • Pose 5: -7.215 kcal/mol
  • Pose 6: -7.024 kcal/mol
  • Pose 7: -6.881 kcal/mol
  • Pose 8: -6.578 kcal/mol
  • Pose 9: -6.521 kcal/mol
CHEMBL1683100_dpp4
Energy Plot
RMSD Scatter Plot