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

Docking Result

CHEMBL5958101_dpp4

Atoms: 234
Models: 9
Best Energy: -7.644 kcal/mol

Binding Energies:
  • Pose 1: -7.644 kcal/mol
  • Pose 2: -7.626 kcal/mol
  • Pose 3: -7.554 kcal/mol
  • Pose 4: -7.339 kcal/mol
  • Pose 5: -7.308 kcal/mol
  • Pose 6: -7.291 kcal/mol
  • Pose 7: -7.278 kcal/mol
  • Pose 8: -7.26 kcal/mol
  • Pose 9: -7.243 kcal/mol
CHEMBL5958101_dpp4
Energy Plot
RMSD Scatter Plot