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

Docking Result

CHEMBL4174924_dpp4

Atoms: 270
Models: 9
Best Energy: -7.984 kcal/mol

Binding Energies:
  • Pose 1: -7.984 kcal/mol
  • Pose 2: -7.935 kcal/mol
  • Pose 3: -7.529 kcal/mol
  • Pose 4: -7.356 kcal/mol
  • Pose 5: -7.246 kcal/mol
  • Pose 6: -7.233 kcal/mol
  • Pose 7: -7.207 kcal/mol
  • Pose 8: -6.938 kcal/mol
  • Pose 9: -6.777 kcal/mol
CHEMBL4174924_dpp4
Energy Plot
RMSD Scatter Plot