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

Docking Result

CHEMBL36282_dpp4

Atoms: 243
Models: 9
Best Energy: -8.267 kcal/mol

Binding Energies:
  • Pose 1: -8.267 kcal/mol
  • Pose 2: -7.782 kcal/mol
  • Pose 3: -7.643 kcal/mol
  • Pose 4: -7.641 kcal/mol
  • Pose 5: -7.475 kcal/mol
  • Pose 6: -7.341 kcal/mol
  • Pose 7: -7.329 kcal/mol
  • Pose 8: -7.269 kcal/mol
  • Pose 9: -7.087 kcal/mol
CHEMBL36282_dpp4
Energy Plot
RMSD Scatter Plot