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

Docking Result

CHEMBL4113723_dpp4

Atoms: 288
Models: 8
Best Energy: -8.337 kcal/mol

Binding Energies:
  • Pose 1: -8.337 kcal/mol
  • Pose 2: -8.322 kcal/mol
  • Pose 3: -8.187 kcal/mol
  • Pose 4: -8.046 kcal/mol
  • Pose 5: -7.856 kcal/mol
  • Pose 6: -7.793 kcal/mol
  • Pose 7: -7.647 kcal/mol
  • Pose 8: -7.616 kcal/mol
CHEMBL4113723_dpp4
Energy Plot
RMSD Scatter Plot