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

Docking Result

CHEMBL508494_dpp4

Atoms: 243
Models: 9
Best Energy: -8.486 kcal/mol

Binding Energies:
  • Pose 1: -8.486 kcal/mol
  • Pose 2: -8.453 kcal/mol
  • Pose 3: -8.311 kcal/mol
  • Pose 4: -8.284 kcal/mol
  • Pose 5: -8.238 kcal/mol
  • Pose 6: -8.224 kcal/mol
  • Pose 7: -8.186 kcal/mol
  • Pose 8: -8.12 kcal/mol
  • Pose 9: -7.966 kcal/mol
CHEMBL508494_dpp4
Energy Plot
RMSD Scatter Plot