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

Docking Result

CHEMBL2147777_dpp4

Atoms: 279
Models: 9
Best Energy: -8.331 kcal/mol

Binding Energies:
  • Pose 1: -8.331 kcal/mol
  • Pose 2: -8.175 kcal/mol
  • Pose 3: -8.15 kcal/mol
  • Pose 4: -8.095 kcal/mol
  • Pose 5: -7.972 kcal/mol
  • Pose 6: -7.923 kcal/mol
  • Pose 7: -7.863 kcal/mol
  • Pose 8: -7.7 kcal/mol
  • Pose 9: -7.677 kcal/mol
CHEMBL2147777_dpp4
Energy Plot
RMSD Scatter Plot