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

Docking Result

CHEMBL1683097_dpp4

Atoms: 279
Models: 9
Best Energy: -7.644 kcal/mol

Binding Energies:
  • Pose 1: -7.644 kcal/mol
  • Pose 2: -7.505 kcal/mol
  • Pose 3: -7.375 kcal/mol
  • Pose 4: -7.291 kcal/mol
  • Pose 5: -7.244 kcal/mol
  • Pose 6: -7.095 kcal/mol
  • Pose 7: -6.958 kcal/mol
  • Pose 8: -6.916 kcal/mol
  • Pose 9: -6.862 kcal/mol
CHEMBL1683097_dpp4
Energy Plot
RMSD Scatter Plot