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

Docking Result

CHEMBL217801_dpp4

Atoms: 243
Models: 9
Best Energy: -8.342 kcal/mol

Binding Energies:
  • Pose 1: -8.342 kcal/mol
  • Pose 2: -8.295 kcal/mol
  • Pose 3: -7.819 kcal/mol
  • Pose 4: -7.627 kcal/mol
  • Pose 5: -7.53 kcal/mol
  • Pose 6: -7.119 kcal/mol
  • Pose 7: -6.89 kcal/mol
  • Pose 8: -6.878 kcal/mol
  • Pose 9: -6.826 kcal/mol
CHEMBL217801_dpp4
Energy Plot
RMSD Scatter Plot