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

Docking Result

CHEMBL416008_dpp4

Atoms: 279
Models: 9
Best Energy: -8.066 kcal/mol

Binding Energies:
  • Pose 1: -8.066 kcal/mol
  • Pose 2: -7.776 kcal/mol
  • Pose 3: -7.748 kcal/mol
  • Pose 4: -7.607 kcal/mol
  • Pose 5: -7.56 kcal/mol
  • Pose 6: -7.525 kcal/mol
  • Pose 7: -7.514 kcal/mol
  • Pose 8: -7.481 kcal/mol
  • Pose 9: -7.476 kcal/mol
CHEMBL416008_dpp4
Energy Plot
RMSD Scatter Plot