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

Docking Result

CHEMBL233564_dpp4

Atoms: 243
Models: 9
Best Energy: -7.884 kcal/mol

Binding Energies:
  • Pose 1: -7.884 kcal/mol
  • Pose 2: -7.644 kcal/mol
  • Pose 3: -7.485 kcal/mol
  • Pose 4: -7.413 kcal/mol
  • Pose 5: -7.398 kcal/mol
  • Pose 6: -7.351 kcal/mol
  • Pose 7: -7.239 kcal/mol
  • Pose 8: -7.225 kcal/mol
  • Pose 9: -7.196 kcal/mol
CHEMBL233564_dpp4
Energy Plot
RMSD Scatter Plot