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

Docking Result

CHEMBL3093917_dpp4

Atoms: 189
Models: 9
Best Energy: -7.353 kcal/mol

Binding Energies:
  • Pose 1: -7.353 kcal/mol
  • Pose 2: -7.288 kcal/mol
  • Pose 3: -7.191 kcal/mol
  • Pose 4: -7.176 kcal/mol
  • Pose 5: -7.169 kcal/mol
  • Pose 6: -6.983 kcal/mol
  • Pose 7: -6.962 kcal/mol
  • Pose 8: -6.941 kcal/mol
  • Pose 9: -6.934 kcal/mol
CHEMBL3093917_dpp4
Energy Plot
RMSD Scatter Plot