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

Docking Result

CHEMBL470170_dpp4

Atoms: 261
Models: 9
Best Energy: -7.805 kcal/mol

Binding Energies:
  • Pose 1: -7.805 kcal/mol
  • Pose 2: -7.764 kcal/mol
  • Pose 3: -7.665 kcal/mol
  • Pose 4: -7.586 kcal/mol
  • Pose 5: -7.514 kcal/mol
  • Pose 6: -7.474 kcal/mol
  • Pose 7: -7.225 kcal/mol
  • Pose 8: -7.16 kcal/mol
  • Pose 9: -7.12 kcal/mol
CHEMBL470170_dpp4
Energy Plot
RMSD Scatter Plot