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

Docking Result

CHEMBL233684_dpp4

Atoms: 252
Models: 9
Best Energy: -7.972 kcal/mol

Binding Energies:
  • Pose 1: -7.972 kcal/mol
  • Pose 2: -7.847 kcal/mol
  • Pose 3: -7.712 kcal/mol
  • Pose 4: -7.391 kcal/mol
  • Pose 5: -7.385 kcal/mol
  • Pose 6: -7.278 kcal/mol
  • Pose 7: -7.261 kcal/mol
  • Pose 8: -7.141 kcal/mol
  • Pose 9: -7.046 kcal/mol
CHEMBL233684_dpp4
Energy Plot
RMSD Scatter Plot