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

Docking Result

CHEMBL1650427_dpp4

Atoms: 297
Models: 9
Best Energy: -8.48 kcal/mol

Binding Energies:
  • Pose 1: -8.48 kcal/mol
  • Pose 2: -8.326 kcal/mol
  • Pose 3: -8.31 kcal/mol
  • Pose 4: -8.259 kcal/mol
  • Pose 5: -8.238 kcal/mol
  • Pose 6: -8.19 kcal/mol
  • Pose 7: -8.06 kcal/mol
  • Pose 8: -8.044 kcal/mol
  • Pose 9: -7.947 kcal/mol
CHEMBL1650427_dpp4
Energy Plot
RMSD Scatter Plot