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

Docking Result

CHEMBL1650444_dpp4

Atoms: 243
Models: 9
Best Energy: -7.358 kcal/mol

Binding Energies:
  • Pose 1: -7.358 kcal/mol
  • Pose 2: -7.127 kcal/mol
  • Pose 3: -7.047 kcal/mol
  • Pose 4: -6.905 kcal/mol
  • Pose 5: -6.782 kcal/mol
  • Pose 6: -6.752 kcal/mol
  • Pose 7: -6.614 kcal/mol
  • Pose 8: -6.598 kcal/mol
  • Pose 9: -6.594 kcal/mol
CHEMBL1650444_dpp4
Energy Plot
RMSD Scatter Plot