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

Docking Result

CHEMBL1951418_dpp4

Atoms: 333
Models: 9
Best Energy: -8.443 kcal/mol

Binding Energies:
  • Pose 1: -8.443 kcal/mol
  • Pose 2: -8.389 kcal/mol
  • Pose 3: -8.371 kcal/mol
  • Pose 4: -8.328 kcal/mol
  • Pose 5: -8.259 kcal/mol
  • Pose 6: -8.091 kcal/mol
  • Pose 7: -7.724 kcal/mol
  • Pose 8: -7.651 kcal/mol
  • Pose 9: -7.634 kcal/mol
CHEMBL1951418_dpp4
Energy Plot
RMSD Scatter Plot