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

Docking Result

CHEMBL3402120_dpp4

Atoms: 360
Models: 9
Best Energy: -9.293 kcal/mol

Binding Energies:
  • Pose 1: -9.293 kcal/mol
  • Pose 2: -8.882 kcal/mol
  • Pose 3: -8.698 kcal/mol
  • Pose 4: -8.556 kcal/mol
  • Pose 5: -8.471 kcal/mol
  • Pose 6: -8.458 kcal/mol
  • Pose 7: -8.292 kcal/mol
  • Pose 8: -8.179 kcal/mol
  • Pose 9: -8.179 kcal/mol
CHEMBL3402120_dpp4
Energy Plot
RMSD Scatter Plot