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

Docking Result

CHEMBL451319_dpp4

Atoms: 225
Models: 9
Best Energy: -7.384 kcal/mol

Binding Energies:
  • Pose 1: -7.384 kcal/mol
  • Pose 2: -7.35 kcal/mol
  • Pose 3: -7.302 kcal/mol
  • Pose 4: -7.196 kcal/mol
  • Pose 5: -7.192 kcal/mol
  • Pose 6: -7.18 kcal/mol
  • Pose 7: -7.167 kcal/mol
  • Pose 8: -7.158 kcal/mol
  • Pose 9: -7.091 kcal/mol
CHEMBL451319_dpp4
Energy Plot
RMSD Scatter Plot