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

Docking Result

CHEMBL561120_dpp4

Atoms: 252
Models: 9
Best Energy: -7.234 kcal/mol

Binding Energies:
  • Pose 1: -7.234 kcal/mol
  • Pose 2: -7.183 kcal/mol
  • Pose 3: -7.139 kcal/mol
  • Pose 4: -7.114 kcal/mol
  • Pose 5: -6.987 kcal/mol
  • Pose 6: -6.946 kcal/mol
  • Pose 7: -6.881 kcal/mol
  • Pose 8: -6.791 kcal/mol
  • Pose 9: -6.628 kcal/mol
CHEMBL561120_dpp4
Energy Plot
RMSD Scatter Plot