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

Docking Result

CHEMBL429482_dpp4

Atoms: 270
Models: 9
Best Energy: -8.339 kcal/mol

Binding Energies:
  • Pose 1: -8.339 kcal/mol
  • Pose 2: -8.294 kcal/mol
  • Pose 3: -8.147 kcal/mol
  • Pose 4: -8.12 kcal/mol
  • Pose 5: -8.119 kcal/mol
  • Pose 6: -8.013 kcal/mol
  • Pose 7: -7.997 kcal/mol
  • Pose 8: -7.994 kcal/mol
  • Pose 9: -7.93 kcal/mol
CHEMBL429482_dpp4
Energy Plot
RMSD Scatter Plot