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

Docking Result

CHEMBL4799877_dpp4

Atoms: 189
Models: 9
Best Energy: -6.634 kcal/mol

Binding Energies:
  • Pose 1: -6.634 kcal/mol
  • Pose 2: -6.601 kcal/mol
  • Pose 3: -6.172 kcal/mol
  • Pose 4: -6.163 kcal/mol
  • Pose 5: -6.071 kcal/mol
  • Pose 6: -6.058 kcal/mol
  • Pose 7: -6.043 kcal/mol
  • Pose 8: -6.041 kcal/mol
  • Pose 9: -6.002 kcal/mol
CHEMBL4799877_dpp4
Energy Plot
RMSD Scatter Plot