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

Docking Result

CHEMBL217198_dpp4

Atoms: 270
Models: 9
Best Energy: -7.228 kcal/mol

Binding Energies:
  • Pose 1: -7.228 kcal/mol
  • Pose 2: -7.165 kcal/mol
  • Pose 3: -7.159 kcal/mol
  • Pose 4: -7.122 kcal/mol
  • Pose 5: -7.075 kcal/mol
  • Pose 6: -7.028 kcal/mol
  • Pose 7: -6.918 kcal/mol
  • Pose 8: -6.837 kcal/mol
  • Pose 9: -6.658 kcal/mol
CHEMBL217198_dpp4
Energy Plot
RMSD Scatter Plot