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

Docking Result

CHEMBL2159178_dpp4

Atoms: 261
Models: 9
Best Energy: -7.662 kcal/mol

Binding Energies:
  • Pose 1: -7.662 kcal/mol
  • Pose 2: -7.377 kcal/mol
  • Pose 3: -7.155 kcal/mol
  • Pose 4: -7.085 kcal/mol
  • Pose 5: -7.038 kcal/mol
  • Pose 6: -6.983 kcal/mol
  • Pose 7: -6.939 kcal/mol
  • Pose 8: -6.878 kcal/mol
  • Pose 9: -6.835 kcal/mol
CHEMBL2159178_dpp4
Energy Plot
RMSD Scatter Plot