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

Docking Result

CHEMBL1951600_dpp4

Atoms: 360
Models: 9
Best Energy: -9.264 kcal/mol

Binding Energies:
  • Pose 1: -9.264 kcal/mol
  • Pose 2: -9.117 kcal/mol
  • Pose 3: -8.986 kcal/mol
  • Pose 4: -8.979 kcal/mol
  • Pose 5: -8.794 kcal/mol
  • Pose 6: -8.667 kcal/mol
  • Pose 7: -8.44 kcal/mol
  • Pose 8: -8.344 kcal/mol
  • Pose 9: -8.293 kcal/mol
CHEMBL1951600_dpp4
Energy Plot
RMSD Scatter Plot