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

Docking Result

CHEMBL470893_dpp4

Atoms: 270
Models: 9
Best Energy: -7.333 kcal/mol

Binding Energies:
  • Pose 1: -7.333 kcal/mol
  • Pose 2: -7.324 kcal/mol
  • Pose 3: -7.258 kcal/mol
  • Pose 4: -7.176 kcal/mol
  • Pose 5: -7.155 kcal/mol
  • Pose 6: -7.018 kcal/mol
  • Pose 7: -6.937 kcal/mol
  • Pose 8: -6.908 kcal/mol
  • Pose 9: -6.863 kcal/mol
CHEMBL470893_dpp4
Energy Plot
RMSD Scatter Plot