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

Docking Result

CHEMBL5624654_dpp4

Atoms: 261
Models: 9
Best Energy: -8.221 kcal/mol

Binding Energies:
  • Pose 1: -8.221 kcal/mol
  • Pose 2: -8.187 kcal/mol
  • Pose 3: -8.113 kcal/mol
  • Pose 4: -7.917 kcal/mol
  • Pose 5: -7.809 kcal/mol
  • Pose 6: -7.736 kcal/mol
  • Pose 7: -7.604 kcal/mol
  • Pose 8: -7.56 kcal/mol
  • Pose 9: -7.457 kcal/mol
CHEMBL5624654_dpp4
Energy Plot
RMSD Scatter Plot