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

Docking Result

CHEMBL5423189_dpp4

Atoms: 207
Models: 9
Best Energy: -7.253 kcal/mol

Binding Energies:
  • Pose 1: -7.253 kcal/mol
  • Pose 2: -7.026 kcal/mol
  • Pose 3: -6.847 kcal/mol
  • Pose 4: -6.834 kcal/mol
  • Pose 5: -6.654 kcal/mol
  • Pose 6: -6.53 kcal/mol
  • Pose 7: -6.458 kcal/mol
  • Pose 8: -6.44 kcal/mol
  • Pose 9: -6.408 kcal/mol
CHEMBL5423189_dpp4
Energy Plot
RMSD Scatter Plot