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

Docking Result

CHEMBL2147773_dpp4

Atoms: 279
Models: 9
Best Energy: -7.691 kcal/mol

Binding Energies:
  • Pose 1: -7.691 kcal/mol
  • Pose 2: -7.64 kcal/mol
  • Pose 3: -7.57 kcal/mol
  • Pose 4: -7.357 kcal/mol
  • Pose 5: -7.236 kcal/mol
  • Pose 6: -7.12 kcal/mol
  • Pose 7: -6.957 kcal/mol
  • Pose 8: -6.848 kcal/mol
  • Pose 9: -6.757 kcal/mol
CHEMBL2147773_dpp4
Energy Plot
RMSD Scatter Plot