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

Docking Result

CHEMBL480536_dpp4

Atoms: 252
Models: 9
Best Energy: -8.266 kcal/mol

Binding Energies:
  • Pose 1: -8.266 kcal/mol
  • Pose 2: -7.449 kcal/mol
  • Pose 3: -7.351 kcal/mol
  • Pose 4: -7.255 kcal/mol
  • Pose 5: -7.209 kcal/mol
  • Pose 6: -7.174 kcal/mol
  • Pose 7: -6.994 kcal/mol
  • Pose 8: -6.989 kcal/mol
  • Pose 9: -6.835 kcal/mol
CHEMBL480536_dpp4
Energy Plot
RMSD Scatter Plot