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

Docking Result

CHEMBL1082464_dpp4

Atoms: 234
Models: 9
Best Energy: -6.768 kcal/mol

Binding Energies:
  • Pose 1: -6.768 kcal/mol
  • Pose 2: -6.554 kcal/mol
  • Pose 3: -6.535 kcal/mol
  • Pose 4: -6.486 kcal/mol
  • Pose 5: -6.268 kcal/mol
  • Pose 6: -6.232 kcal/mol
  • Pose 7: -6.215 kcal/mol
  • Pose 8: -6.096 kcal/mol
  • Pose 9: -6.058 kcal/mol
CHEMBL1082464_dpp4
Energy Plot
RMSD Scatter Plot