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

Docking Result

CHEMBL1422_dpp4

Atoms: 270
Models: 9
Best Energy: -8.398 kcal/mol

Binding Energies:
  • Pose 1: -8.398 kcal/mol
  • Pose 2: -8.261 kcal/mol
  • Pose 3: -8.133 kcal/mol
  • Pose 4: -8.074 kcal/mol
  • Pose 5: -8.055 kcal/mol
  • Pose 6: -8.028 kcal/mol
  • Pose 7: -8.02 kcal/mol
  • Pose 8: -7.981 kcal/mol
  • Pose 9: -7.949 kcal/mol
CHEMBL1422_dpp4
Energy Plot
RMSD Scatter Plot