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

Docking Result

CHEMBL2425081_dpp4

Atoms: 234
Models: 9
Best Energy: -7.668 kcal/mol

Binding Energies:
  • Pose 1: -7.668 kcal/mol
  • Pose 2: -7.589 kcal/mol
  • Pose 3: -7.47 kcal/mol
  • Pose 4: -7.343 kcal/mol
  • Pose 5: -7.231 kcal/mol
  • Pose 6: -7.102 kcal/mol
  • Pose 7: -7.079 kcal/mol
  • Pose 8: -6.937 kcal/mol
  • Pose 9: -6.72 kcal/mol
CHEMBL2425081_dpp4
Energy Plot
RMSD Scatter Plot