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

Docking Result

CHEMBL1683123_dpp4

Atoms: 243
Models: 9
Best Energy: -8.552 kcal/mol

Binding Energies:
  • Pose 1: -8.552 kcal/mol
  • Pose 2: -8.026 kcal/mol
  • Pose 3: -8.012 kcal/mol
  • Pose 4: -7.964 kcal/mol
  • Pose 5: -7.86 kcal/mol
  • Pose 6: -7.81 kcal/mol
  • Pose 7: -7.555 kcal/mol
  • Pose 8: -7.302 kcal/mol
  • Pose 9: -7.258 kcal/mol
CHEMBL1683123_dpp4
Energy Plot
RMSD Scatter Plot