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

Docking Result

CHEMBL3958670_dpp4

Atoms: 351
Models: 9
Best Energy: -8.778 kcal/mol

Binding Energies:
  • Pose 1: -8.778 kcal/mol
  • Pose 2: -8.617 kcal/mol
  • Pose 3: -8.56 kcal/mol
  • Pose 4: -8.459 kcal/mol
  • Pose 5: -8.439 kcal/mol
  • Pose 6: -8.371 kcal/mol
  • Pose 7: -8.285 kcal/mol
  • Pose 8: -8.269 kcal/mol
  • Pose 9: -8.243 kcal/mol
CHEMBL3958670_dpp4
Energy Plot
RMSD Scatter Plot