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

Docking Result

CHEMBL401502_dpp4

Atoms: 351
Models: 9
Best Energy: -9.38 kcal/mol

Binding Energies:
  • Pose 1: -9.38 kcal/mol
  • Pose 2: -9.052 kcal/mol
  • Pose 3: -9.009 kcal/mol
  • Pose 4: -8.965 kcal/mol
  • Pose 5: -8.951 kcal/mol
  • Pose 6: -8.69 kcal/mol
  • Pose 7: -8.598 kcal/mol
  • Pose 8: -8.513 kcal/mol
  • Pose 9: -8.174 kcal/mol
CHEMBL401502_dpp4
Energy Plot
RMSD Scatter Plot