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

Docking Result

CHEMBL4205581_dpp4

Atoms: 252
Models: 9
Best Energy: -8.366 kcal/mol

Binding Energies:
  • Pose 1: -8.366 kcal/mol
  • Pose 2: -8.16 kcal/mol
  • Pose 3: -7.739 kcal/mol
  • Pose 4: -7.481 kcal/mol
  • Pose 5: -7.393 kcal/mol
  • Pose 6: -7.337 kcal/mol
  • Pose 7: -7.277 kcal/mol
  • Pose 8: -7.237 kcal/mol
  • Pose 9: -7.184 kcal/mol
CHEMBL4205581_dpp4
Energy Plot
RMSD Scatter Plot