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

Docking Result

CHEMBL427257_dpp4

Atoms: 252
Models: 9
Best Energy: -5.591 kcal/mol

Binding Energies:
  • Pose 1: -5.591 kcal/mol
  • Pose 2: -5.576 kcal/mol
  • Pose 3: -5.327 kcal/mol
  • Pose 4: -5.228 kcal/mol
  • Pose 5: -5.12 kcal/mol
  • Pose 6: -5.112 kcal/mol
  • Pose 7: -5.108 kcal/mol
  • Pose 8: -4.969 kcal/mol
  • Pose 9: -4.964 kcal/mol
CHEMBL427257_dpp4
Energy Plot
RMSD Scatter Plot