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

Docking Result

CHEMBL203084_dpp4

Atoms: 243
Models: 9
Best Energy: -7.431 kcal/mol

Binding Energies:
  • Pose 1: -7.431 kcal/mol
  • Pose 2: -7.409 kcal/mol
  • Pose 3: -7.381 kcal/mol
  • Pose 4: -7.379 kcal/mol
  • Pose 5: -7.304 kcal/mol
  • Pose 6: -7.251 kcal/mol
  • Pose 7: -7.197 kcal/mol
  • Pose 8: -7.176 kcal/mol
  • Pose 9: -7.09 kcal/mol
CHEMBL203084_dpp4
Energy Plot
RMSD Scatter Plot