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

Docking Result

CHEMBL4752835_dpp4

Atoms: 234
Models: 9
Best Energy: -8.213 kcal/mol

Binding Energies:
  • Pose 1: -8.213 kcal/mol
  • Pose 2: -8.015 kcal/mol
  • Pose 3: -7.923 kcal/mol
  • Pose 4: -7.879 kcal/mol
  • Pose 5: -7.808 kcal/mol
  • Pose 6: -7.761 kcal/mol
  • Pose 7: -7.55 kcal/mol
  • Pose 8: -7.44 kcal/mol
  • Pose 9: -7.281 kcal/mol
CHEMBL4752835_dpp4
Energy Plot
RMSD Scatter Plot