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

Docking Result

CHEMBL1683091_dpp4

Atoms: 279
Models: 9
Best Energy: -8.51 kcal/mol

Binding Energies:
  • Pose 1: -8.51 kcal/mol
  • Pose 2: -8.438 kcal/mol
  • Pose 3: -8.174 kcal/mol
  • Pose 4: -8.092 kcal/mol
  • Pose 5: -8.031 kcal/mol
  • Pose 6: -7.986 kcal/mol
  • Pose 7: -7.925 kcal/mol
  • Pose 8: -7.888 kcal/mol
  • Pose 9: -7.84 kcal/mol
CHEMBL1683091_dpp4
Energy Plot
RMSD Scatter Plot