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

Docking Result

CHEMBL1243028_dpp4

Atoms: 288
Models: 9
Best Energy: -9.383 kcal/mol

Binding Energies:
  • Pose 1: -9.383 kcal/mol
  • Pose 2: -8.239 kcal/mol
  • Pose 3: -8.101 kcal/mol
  • Pose 4: -8.01 kcal/mol
  • Pose 5: -7.899 kcal/mol
  • Pose 6: -7.888 kcal/mol
  • Pose 7: -7.633 kcal/mol
  • Pose 8: -7.608 kcal/mol
  • Pose 9: -7.602 kcal/mol
CHEMBL1243028_dpp4
Energy Plot
RMSD Scatter Plot