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

Docking Result

CHEMBL1761684_dpp4

Atoms: 297
Models: 9
Best Energy: -9.409 kcal/mol

Binding Energies:
  • Pose 1: -9.409 kcal/mol
  • Pose 2: -9.087 kcal/mol
  • Pose 3: -8.767 kcal/mol
  • Pose 4: -8.575 kcal/mol
  • Pose 5: -8.475 kcal/mol
  • Pose 6: -8.442 kcal/mol
  • Pose 7: -8.353 kcal/mol
  • Pose 8: -8.29 kcal/mol
  • Pose 9: -8.24 kcal/mol
CHEMBL1761684_dpp4
Energy Plot
RMSD Scatter Plot