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

Docking Result

CHEMBL235792_dpp4

Atoms: 216
Models: 9
Best Energy: -6.674 kcal/mol

Binding Energies:
  • Pose 1: -6.674 kcal/mol
  • Pose 2: -6.658 kcal/mol
  • Pose 3: -6.593 kcal/mol
  • Pose 4: -6.357 kcal/mol
  • Pose 5: -6.307 kcal/mol
  • Pose 6: -6.212 kcal/mol
  • Pose 7: -6.174 kcal/mol
  • Pose 8: -6.125 kcal/mol
  • Pose 9: -6.106 kcal/mol
CHEMBL235792_dpp4
Energy Plot
RMSD Scatter Plot