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

Docking Result

CHEMBL184636_dpp4

Atoms: 279
Models: 9
Best Energy: -8.783 kcal/mol

Binding Energies:
  • Pose 1: -8.783 kcal/mol
  • Pose 2: -8.605 kcal/mol
  • Pose 3: -8.592 kcal/mol
  • Pose 4: -8.247 kcal/mol
  • Pose 5: -8.182 kcal/mol
  • Pose 6: -8.103 kcal/mol
  • Pose 7: -8.027 kcal/mol
  • Pose 8: -7.839 kcal/mol
  • Pose 9: -7.644 kcal/mol
CHEMBL184636_dpp4
Energy Plot
RMSD Scatter Plot