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

Docking Result

CHEMBL1650434_dpp4

Atoms: 243
Models: 9
Best Energy: -7.951 kcal/mol

Binding Energies:
  • Pose 1: -7.951 kcal/mol
  • Pose 2: -7.287 kcal/mol
  • Pose 3: -7.155 kcal/mol
  • Pose 4: -7.061 kcal/mol
  • Pose 5: -7.001 kcal/mol
  • Pose 6: -6.839 kcal/mol
  • Pose 7: -6.746 kcal/mol
  • Pose 8: -6.493 kcal/mol
  • Pose 9: -6.481 kcal/mol
CHEMBL1650434_dpp4
Energy Plot
RMSD Scatter Plot