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

Docking Result

CHEMBL429829_dpp4

Atoms: 297
Models: 9
Best Energy: -8.167 kcal/mol

Binding Energies:
  • Pose 1: -8.167 kcal/mol
  • Pose 2: -7.989 kcal/mol
  • Pose 3: -7.575 kcal/mol
  • Pose 4: -7.446 kcal/mol
  • Pose 5: -7.384 kcal/mol
  • Pose 6: -7.383 kcal/mol
  • Pose 7: -7.366 kcal/mol
  • Pose 8: -7.346 kcal/mol
  • Pose 9: -7.183 kcal/mol
CHEMBL429829_dpp4
Energy Plot
RMSD Scatter Plot