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

Docking Result

CHEMBL2058971_dpp4

Atoms: 297
Models: 9
Best Energy: -8.52 kcal/mol

Binding Energies:
  • Pose 1: -8.52 kcal/mol
  • Pose 2: -8.192 kcal/mol
  • Pose 3: -8.052 kcal/mol
  • Pose 4: -7.994 kcal/mol
  • Pose 5: -7.979 kcal/mol
  • Pose 6: -7.625 kcal/mol
  • Pose 7: -7.501 kcal/mol
  • Pose 8: -7.332 kcal/mol
  • Pose 9: -7.257 kcal/mol
CHEMBL2058971_dpp4
Energy Plot
RMSD Scatter Plot