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

Docking Result

CHEMBL234611_dpp4

Atoms: 234
Models: 9
Best Energy: -7.478 kcal/mol

Binding Energies:
  • Pose 1: -7.478 kcal/mol
  • Pose 2: -7.365 kcal/mol
  • Pose 3: -7.12 kcal/mol
  • Pose 4: -6.882 kcal/mol
  • Pose 5: -6.835 kcal/mol
  • Pose 6: -6.809 kcal/mol
  • Pose 7: -6.739 kcal/mol
  • Pose 8: -6.632 kcal/mol
  • Pose 9: -6.405 kcal/mol
CHEMBL234611_dpp4
Energy Plot
RMSD Scatter Plot