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

Docking Result

CHEMBL1778899_dpp4

Atoms: 207
Models: 9
Best Energy: -7.423 kcal/mol

Binding Energies:
  • Pose 1: -7.423 kcal/mol
  • Pose 2: -7.184 kcal/mol
  • Pose 3: -6.963 kcal/mol
  • Pose 4: -6.949 kcal/mol
  • Pose 5: -6.949 kcal/mol
  • Pose 6: -6.863 kcal/mol
  • Pose 7: -6.733 kcal/mol
  • Pose 8: -6.641 kcal/mol
  • Pose 9: -6.57 kcal/mol
CHEMBL1778899_dpp4
Energy Plot
RMSD Scatter Plot