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

Docking Result

CHEMBL6146224_dpp4

Atoms: 297
Models: 9
Best Energy: -8.067 kcal/mol

Binding Energies:
  • Pose 1: -8.067 kcal/mol
  • Pose 2: -7.945 kcal/mol
  • Pose 3: -7.933 kcal/mol
  • Pose 4: -7.618 kcal/mol
  • Pose 5: -7.547 kcal/mol
  • Pose 6: -7.328 kcal/mol
  • Pose 7: -7.203 kcal/mol
  • Pose 8: -7.184 kcal/mol
  • Pose 9: -7.112 kcal/mol
CHEMBL6146224_dpp4
Energy Plot
RMSD Scatter Plot