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

Docking Result

CHEMBL3127989_dpp4

Atoms: 243
Models: 9
Best Energy: -7.529 kcal/mol

Binding Energies:
  • Pose 1: -7.529 kcal/mol
  • Pose 2: -7.471 kcal/mol
  • Pose 3: -7.348 kcal/mol
  • Pose 4: -7.337 kcal/mol
  • Pose 5: -7.322 kcal/mol
  • Pose 6: -7.31 kcal/mol
  • Pose 7: -7.279 kcal/mol
  • Pose 8: -7.065 kcal/mol
  • Pose 9: -7.058 kcal/mol
CHEMBL3127989_dpp4
Energy Plot
RMSD Scatter Plot