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

Docking Result

CHEMBL356055_dpp4

Atoms: 162
Models: 9
Best Energy: -5.177 kcal/mol

Binding Energies:
  • Pose 1: -5.177 kcal/mol
  • Pose 2: -5.074 kcal/mol
  • Pose 3: -4.898 kcal/mol
  • Pose 4: -4.888 kcal/mol
  • Pose 5: -4.87 kcal/mol
  • Pose 6: -4.854 kcal/mol
  • Pose 7: -4.813 kcal/mol
  • Pose 8: -4.803 kcal/mol
  • Pose 9: -4.761 kcal/mol
CHEMBL356055_dpp4
Energy Plot
RMSD Scatter Plot