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

Docking Result

CHEMBL6170809_dpp4

Atoms: 279
Models: 9
Best Energy: -8.393 kcal/mol

Binding Energies:
  • Pose 1: -8.393 kcal/mol
  • Pose 2: -7.998 kcal/mol
  • Pose 3: -7.527 kcal/mol
  • Pose 4: -7.448 kcal/mol
  • Pose 5: -7.279 kcal/mol
  • Pose 6: -7.194 kcal/mol
  • Pose 7: -7.068 kcal/mol
  • Pose 8: -6.952 kcal/mol
  • Pose 9: -6.936 kcal/mol
CHEMBL6170809_dpp4
Energy Plot
RMSD Scatter Plot