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

Docking Result

CHEMBL1683143_dpp4

Atoms: 261
Models: 9
Best Energy: -7.9 kcal/mol

Binding Energies:
  • Pose 1: -7.9 kcal/mol
  • Pose 2: -7.867 kcal/mol
  • Pose 3: -7.772 kcal/mol
  • Pose 4: -7.742 kcal/mol
  • Pose 5: -7.72 kcal/mol
  • Pose 6: -7.457 kcal/mol
  • Pose 7: -7.101 kcal/mol
  • Pose 8: -6.946 kcal/mol
  • Pose 9: -6.888 kcal/mol
CHEMBL1683143_dpp4
Energy Plot
RMSD Scatter Plot