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

Docking Result

CHEMBL363375_dpp4

Atoms: 261
Models: 9
Best Energy: -7.81 kcal/mol

Binding Energies:
  • Pose 1: -7.81 kcal/mol
  • Pose 2: -7.797 kcal/mol
  • Pose 3: -7.621 kcal/mol
  • Pose 4: -7.559 kcal/mol
  • Pose 5: -7.52 kcal/mol
  • Pose 6: -7.333 kcal/mol
  • Pose 7: -7.327 kcal/mol
  • Pose 8: -6.999 kcal/mol
  • Pose 9: -6.98 kcal/mol
CHEMBL363375_dpp4
Energy Plot
RMSD Scatter Plot