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

Docking Result

CHEMBL1243061_dpp4

Atoms: 288
Models: 9
Best Energy: -8.332 kcal/mol

Binding Energies:
  • Pose 1: -8.332 kcal/mol
  • Pose 2: -8.311 kcal/mol
  • Pose 3: -8.228 kcal/mol
  • Pose 4: -8.207 kcal/mol
  • Pose 5: -8.127 kcal/mol
  • Pose 6: -8.061 kcal/mol
  • Pose 7: -8.005 kcal/mol
  • Pose 8: -7.997 kcal/mol
  • Pose 9: -7.94 kcal/mol
CHEMBL1243061_dpp4
Energy Plot
RMSD Scatter Plot