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

Docking Result

CHEMBL352343_dpp4

Atoms: 261
Models: 9
Best Energy: -7.593 kcal/mol

Binding Energies:
  • Pose 1: -7.593 kcal/mol
  • Pose 2: -7.441 kcal/mol
  • Pose 3: -7.44 kcal/mol
  • Pose 4: -7.386 kcal/mol
  • Pose 5: -7.285 kcal/mol
  • Pose 6: -7.186 kcal/mol
  • Pose 7: -7.057 kcal/mol
  • Pose 8: -7.041 kcal/mol
  • Pose 9: -7.008 kcal/mol
CHEMBL352343_dpp4
Energy Plot
RMSD Scatter Plot