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

Docking Result

CHEMBL4852700_dpp4

Atoms: 297
Models: 9
Best Energy: -7.613 kcal/mol

Binding Energies:
  • Pose 1: -7.613 kcal/mol
  • Pose 2: -7.497 kcal/mol
  • Pose 3: -7.175 kcal/mol
  • Pose 4: -7.103 kcal/mol
  • Pose 5: -7.089 kcal/mol
  • Pose 6: -7.083 kcal/mol
  • Pose 7: -7.066 kcal/mol
  • Pose 8: -6.966 kcal/mol
  • Pose 9: -6.951 kcal/mol
CHEMBL4852700_dpp4
Energy Plot
RMSD Scatter Plot