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

Docking Result

CHEMBL355716_dpp4

Atoms: 261
Models: 9
Best Energy: -7.973 kcal/mol

Binding Energies:
  • Pose 1: -7.973 kcal/mol
  • Pose 2: -7.963 kcal/mol
  • Pose 3: -7.59 kcal/mol
  • Pose 4: -7.566 kcal/mol
  • Pose 5: -7.432 kcal/mol
  • Pose 6: -7.407 kcal/mol
  • Pose 7: -7.315 kcal/mol
  • Pose 8: -7.194 kcal/mol
  • Pose 9: -7.141 kcal/mol
CHEMBL355716_dpp4
Energy Plot
RMSD Scatter Plot