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

Docking Result

CHEMBL2147703_dpp4

Atoms: 270
Models: 9
Best Energy: -7.832 kcal/mol

Binding Energies:
  • Pose 1: -7.832 kcal/mol
  • Pose 2: -7.597 kcal/mol
  • Pose 3: -7.585 kcal/mol
  • Pose 4: -7.55 kcal/mol
  • Pose 5: -7.547 kcal/mol
  • Pose 6: -7.538 kcal/mol
  • Pose 7: -7.465 kcal/mol
  • Pose 8: -7.421 kcal/mol
  • Pose 9: -7.301 kcal/mol
CHEMBL2147703_dpp4
Energy Plot
RMSD Scatter Plot