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

Docking Result

CHEMBL1808473_dpp4

Atoms: 297
Models: 9
Best Energy: -9.295 kcal/mol

Binding Energies:
  • Pose 1: -9.295 kcal/mol
  • Pose 2: -8.103 kcal/mol
  • Pose 3: -7.898 kcal/mol
  • Pose 4: -7.716 kcal/mol
  • Pose 5: -7.402 kcal/mol
  • Pose 6: -7.386 kcal/mol
  • Pose 7: -7.355 kcal/mol
  • Pose 8: -7.31 kcal/mol
  • Pose 9: -7.225 kcal/mol
CHEMBL1808473_dpp4
Energy Plot
RMSD Scatter Plot