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

Docking Result

CHEMBL2147776_dpp4

Atoms: 279
Models: 9
Best Energy: -8.155 kcal/mol

Binding Energies:
  • Pose 1: -8.155 kcal/mol
  • Pose 2: -7.87 kcal/mol
  • Pose 3: -7.851 kcal/mol
  • Pose 4: -7.837 kcal/mol
  • Pose 5: -7.592 kcal/mol
  • Pose 6: -7.564 kcal/mol
  • Pose 7: -7.552 kcal/mol
  • Pose 8: -7.481 kcal/mol
  • Pose 9: -7.427 kcal/mol
CHEMBL2147776_dpp4
Energy Plot
RMSD Scatter Plot