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

Docking Result

CHEMBL2022509_dpp4

Atoms: 225
Models: 9
Best Energy: -7.665 kcal/mol

Binding Energies:
  • Pose 1: -7.665 kcal/mol
  • Pose 2: -7.659 kcal/mol
  • Pose 3: -7.578 kcal/mol
  • Pose 4: -7.052 kcal/mol
  • Pose 5: -6.988 kcal/mol
  • Pose 6: -6.938 kcal/mol
  • Pose 7: -6.814 kcal/mol
  • Pose 8: -6.81 kcal/mol
  • Pose 9: -6.67 kcal/mol
CHEMBL2022509_dpp4
Energy Plot
RMSD Scatter Plot