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

Docking Result

CHEMBL567270_dpp4

Atoms: 297
Models: 9
Best Energy: -9.056 kcal/mol

Binding Energies:
  • Pose 1: -9.056 kcal/mol
  • Pose 2: -8.876 kcal/mol
  • Pose 3: -8.515 kcal/mol
  • Pose 4: -8.466 kcal/mol
  • Pose 5: -8.233 kcal/mol
  • Pose 6: -8.199 kcal/mol
  • Pose 7: -8.127 kcal/mol
  • Pose 8: -8.066 kcal/mol
  • Pose 9: -8.015 kcal/mol
CHEMBL567270_dpp4
Energy Plot
RMSD Scatter Plot