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

Docking Result

CHEMBL169179_dpp4

Atoms: 297
Models: 9
Best Energy: -7.875 kcal/mol

Binding Energies:
  • Pose 1: -7.875 kcal/mol
  • Pose 2: -7.81 kcal/mol
  • Pose 3: -7.743 kcal/mol
  • Pose 4: -7.694 kcal/mol
  • Pose 5: -7.662 kcal/mol
  • Pose 6: -7.619 kcal/mol
  • Pose 7: -7.603 kcal/mol
  • Pose 8: -7.538 kcal/mol
  • Pose 9: -7.453 kcal/mol
CHEMBL169179_dpp4
Energy Plot
RMSD Scatter Plot