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

Docking Result

CHEMBL1812737_dpp4

Atoms: 243
Models: 9
Best Energy: -8.316 kcal/mol

Binding Energies:
  • Pose 1: -8.316 kcal/mol
  • Pose 2: -7.481 kcal/mol
  • Pose 3: -7.056 kcal/mol
  • Pose 4: -6.924 kcal/mol
  • Pose 5: -6.703 kcal/mol
  • Pose 6: -6.692 kcal/mol
  • Pose 7: -6.619 kcal/mol
  • Pose 8: -6.562 kcal/mol
  • Pose 9: -6.537 kcal/mol
CHEMBL1812737_dpp4
Energy Plot
RMSD Scatter Plot