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

Docking Result

CHEMBL3650440_dpp4

Atoms: 261
Models: 9
Best Energy: -8.471 kcal/mol

Binding Energies:
  • Pose 1: -8.471 kcal/mol
  • Pose 2: -8.331 kcal/mol
  • Pose 3: -7.997 kcal/mol
  • Pose 4: -7.857 kcal/mol
  • Pose 5: -7.749 kcal/mol
  • Pose 6: -7.73 kcal/mol
  • Pose 7: -7.691 kcal/mol
  • Pose 8: -7.629 kcal/mol
  • Pose 9: -7.535 kcal/mol
CHEMBL3650440_dpp4
Energy Plot
RMSD Scatter Plot