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

Docking Result

CHEMBL4743490_dpp4

Atoms: 243
Models: 9
Best Energy: -8.26 kcal/mol

Binding Energies:
  • Pose 1: -8.26 kcal/mol
  • Pose 2: -8.246 kcal/mol
  • Pose 3: -8.243 kcal/mol
  • Pose 4: -8.021 kcal/mol
  • Pose 5: -7.986 kcal/mol
  • Pose 6: -7.918 kcal/mol
  • Pose 7: -7.62 kcal/mol
  • Pose 8: -7.562 kcal/mol
  • Pose 9: -7.473 kcal/mol
CHEMBL4743490_dpp4
Energy Plot
RMSD Scatter Plot