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

Docking Result

CHEMBL6051249_dpp4

Atoms: 216
Models: 9
Best Energy: -7.521 kcal/mol

Binding Energies:
  • Pose 1: -7.521 kcal/mol
  • Pose 2: -7.503 kcal/mol
  • Pose 3: -7.386 kcal/mol
  • Pose 4: -7.252 kcal/mol
  • Pose 5: -7.199 kcal/mol
  • Pose 6: -7.145 kcal/mol
  • Pose 7: -7.01 kcal/mol
  • Pose 8: -6.96 kcal/mol
  • Pose 9: -6.927 kcal/mol
CHEMBL6051249_dpp4
Energy Plot
RMSD Scatter Plot