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

Docking Result

CHEMBL371521_dpp4

Atoms: 270
Models: 9
Best Energy: -8.35 kcal/mol

Binding Energies:
  • Pose 1: -8.35 kcal/mol
  • Pose 2: -8.147 kcal/mol
  • Pose 3: -7.995 kcal/mol
  • Pose 4: -7.986 kcal/mol
  • Pose 5: -7.983 kcal/mol
  • Pose 6: -7.912 kcal/mol
  • Pose 7: -7.891 kcal/mol
  • Pose 8: -7.865 kcal/mol
  • Pose 9: -7.729 kcal/mol
CHEMBL371521_dpp4
Energy Plot
RMSD Scatter Plot