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

Docking Result

CHEMBL5277115_dpp4

Atoms: 234
Models: 9
Best Energy: -7.934 kcal/mol

Binding Energies:
  • Pose 1: -7.934 kcal/mol
  • Pose 2: -7.822 kcal/mol
  • Pose 3: -7.585 kcal/mol
  • Pose 4: -7.565 kcal/mol
  • Pose 5: -7.564 kcal/mol
  • Pose 6: -7.448 kcal/mol
  • Pose 7: -7.214 kcal/mol
  • Pose 8: -7.176 kcal/mol
  • Pose 9: -7.051 kcal/mol
CHEMBL5277115_dpp4
Energy Plot
RMSD Scatter Plot