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

Docking Result

CHEMBL551323_dpp4

Atoms: 135
Models: 9
Best Energy: -5.955 kcal/mol

Binding Energies:
  • Pose 1: -5.955 kcal/mol
  • Pose 2: -5.607 kcal/mol
  • Pose 3: -5.459 kcal/mol
  • Pose 4: -5.446 kcal/mol
  • Pose 5: -5.319 kcal/mol
  • Pose 6: -5.294 kcal/mol
  • Pose 7: -5.178 kcal/mol
  • Pose 8: -5.177 kcal/mol
  • Pose 9: -5.169 kcal/mol
CHEMBL551323_dpp4
Energy Plot
RMSD Scatter Plot