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

Docking Result

CHEMBL2159179_dpp4

Atoms: 261
Models: 9
Best Energy: -7.418 kcal/mol

Binding Energies:
  • Pose 1: -7.418 kcal/mol
  • Pose 2: -7.333 kcal/mol
  • Pose 3: -7.113 kcal/mol
  • Pose 4: -7.076 kcal/mol
  • Pose 5: -7.047 kcal/mol
  • Pose 6: -6.858 kcal/mol
  • Pose 7: -6.782 kcal/mol
  • Pose 8: -6.728 kcal/mol
  • Pose 9: -6.629 kcal/mol
CHEMBL2159179_dpp4
Energy Plot
RMSD Scatter Plot