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

Docking Result

CHEMBL1085333_dpp4

Atoms: 225
Models: 9
Best Energy: -7.258 kcal/mol

Binding Energies:
  • Pose 1: -7.258 kcal/mol
  • Pose 2: -6.788 kcal/mol
  • Pose 3: -6.732 kcal/mol
  • Pose 4: -6.62 kcal/mol
  • Pose 5: -6.618 kcal/mol
  • Pose 6: -6.605 kcal/mol
  • Pose 7: -6.595 kcal/mol
  • Pose 8: -6.396 kcal/mol
  • Pose 9: -6.371 kcal/mol
CHEMBL1085333_dpp4
Energy Plot
RMSD Scatter Plot