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

Docking Result

CHEMBL3580787_dpp4

Atoms: 324
Models: 9
Best Energy: -8.229 kcal/mol

Binding Energies:
  • Pose 1: -8.229 kcal/mol
  • Pose 2: -8.062 kcal/mol
  • Pose 3: -7.068 kcal/mol
  • Pose 4: -7.053 kcal/mol
  • Pose 5: -7.041 kcal/mol
  • Pose 6: -7.014 kcal/mol
  • Pose 7: -6.998 kcal/mol
  • Pose 8: -6.734 kcal/mol
  • Pose 9: -6.716 kcal/mol
CHEMBL3580787_dpp4
Energy Plot
RMSD Scatter Plot