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

Docking Result

CHEMBL5289049_dpp4

Atoms: 168
Models: 8
Best Energy: -7.003 kcal/mol

Binding Energies:
  • Pose 1: -7.003 kcal/mol
  • Pose 2: -6.546 kcal/mol
  • Pose 3: -6.539 kcal/mol
  • Pose 4: -6.282 kcal/mol
  • Pose 5: -6.129 kcal/mol
  • Pose 6: -6.12 kcal/mol
  • Pose 7: -6.09 kcal/mol
  • Pose 8: -5.928 kcal/mol
CHEMBL5289049_dpp4
Energy Plot
RMSD Scatter Plot