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

Docking Result

CHEMBL286301_dpp4

Atoms: 234
Models: 9
Best Energy: -8.053 kcal/mol

Binding Energies:
  • Pose 1: -8.053 kcal/mol
  • Pose 2: -7.84 kcal/mol
  • Pose 3: -7.115 kcal/mol
  • Pose 4: -7.013 kcal/mol
  • Pose 5: -7.011 kcal/mol
  • Pose 6: -6.91 kcal/mol
  • Pose 7: -6.667 kcal/mol
  • Pose 8: -6.644 kcal/mol
  • Pose 9: -6.604 kcal/mol
CHEMBL286301_dpp4
Energy Plot
RMSD Scatter Plot