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

Docking Result

CHEMBL185332_dpp4

Atoms: 171
Models: 9
Best Energy: -6.348 kcal/mol

Binding Energies:
  • Pose 1: -6.348 kcal/mol
  • Pose 2: -5.819 kcal/mol
  • Pose 3: -5.773 kcal/mol
  • Pose 4: -5.733 kcal/mol
  • Pose 5: -5.687 kcal/mol
  • Pose 6: -5.585 kcal/mol
  • Pose 7: -5.562 kcal/mol
  • Pose 8: -5.559 kcal/mol
  • Pose 9: -5.493 kcal/mol
CHEMBL185332_dpp4
Energy Plot
RMSD Scatter Plot