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

Docking Result

CHEMBL5874480_dpp4

Atoms: 171
Models: 9
Best Energy: -7.176 kcal/mol

Binding Energies:
  • Pose 1: -7.176 kcal/mol
  • Pose 2: -6.828 kcal/mol
  • Pose 3: -6.668 kcal/mol
  • Pose 4: -6.48 kcal/mol
  • Pose 5: -6.447 kcal/mol
  • Pose 6: -6.239 kcal/mol
  • Pose 7: -6.227 kcal/mol
  • Pose 8: -6.22 kcal/mol
  • Pose 9: -6.041 kcal/mol
CHEMBL5874480_dpp4
Energy Plot
RMSD Scatter Plot