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

Docking Result

CHEMBL407293_dpp4

Atoms: 171
Models: 9
Best Energy: -6.066 kcal/mol

Binding Energies:
  • Pose 1: -6.066 kcal/mol
  • Pose 2: -5.969 kcal/mol
  • Pose 3: -5.694 kcal/mol
  • Pose 4: -5.613 kcal/mol
  • Pose 5: -5.555 kcal/mol
  • Pose 6: -5.343 kcal/mol
  • Pose 7: -5.316 kcal/mol
  • Pose 8: -5.206 kcal/mol
  • Pose 9: -5.189 kcal/mol
CHEMBL407293_dpp4
Energy Plot
RMSD Scatter Plot