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

Docking Result

CHEMBL1682975_dpp4

Atoms: 270
Models: 9
Best Energy: -8.327 kcal/mol

Binding Energies:
  • Pose 1: -8.327 kcal/mol
  • Pose 2: -7.983 kcal/mol
  • Pose 3: -7.779 kcal/mol
  • Pose 4: -7.711 kcal/mol
  • Pose 5: -7.648 kcal/mol
  • Pose 6: -7.581 kcal/mol
  • Pose 7: -7.434 kcal/mol
  • Pose 8: -7.415 kcal/mol
  • Pose 9: -7.385 kcal/mol
CHEMBL1682975_dpp4
Energy Plot
RMSD Scatter Plot