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

Docking Result

CHEMBL210941_dpp4

Atoms: 225
Models: 9
Best Energy: -7.59 kcal/mol

Binding Energies:
  • Pose 1: -7.59 kcal/mol
  • Pose 2: -7.381 kcal/mol
  • Pose 3: -7.186 kcal/mol
  • Pose 4: -7.137 kcal/mol
  • Pose 5: -7.066 kcal/mol
  • Pose 6: -7.007 kcal/mol
  • Pose 7: -6.96 kcal/mol
  • Pose 8: -6.75 kcal/mol
  • Pose 9: -6.746 kcal/mol
CHEMBL210941_dpp4
Energy Plot
RMSD Scatter Plot