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

Docking Result

CHEMBL250393_dpp4

Atoms: 243
Models: 9
Best Energy: -8.178 kcal/mol

Binding Energies:
  • Pose 1: -8.178 kcal/mol
  • Pose 2: -8.011 kcal/mol
  • Pose 3: -7.902 kcal/mol
  • Pose 4: -7.492 kcal/mol
  • Pose 5: -7.446 kcal/mol
  • Pose 6: -7.278 kcal/mol
  • Pose 7: -7.147 kcal/mol
  • Pose 8: -7.069 kcal/mol
  • Pose 9: -7.031 kcal/mol
CHEMBL250393_dpp4
Energy Plot
RMSD Scatter Plot