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

Docking Result

CHEMBL514935_dpp4

Atoms: 234
Models: 9
Best Energy: -7.754 kcal/mol

Binding Energies:
  • Pose 1: -7.754 kcal/mol
  • Pose 2: -7.457 kcal/mol
  • Pose 3: -7.381 kcal/mol
  • Pose 4: -7.296 kcal/mol
  • Pose 5: -7.29 kcal/mol
  • Pose 6: -7.253 kcal/mol
  • Pose 7: -6.901 kcal/mol
  • Pose 8: -6.753 kcal/mol
  • Pose 9: -6.639 kcal/mol
CHEMBL514935_dpp4
Energy Plot
RMSD Scatter Plot