The calculated binding affinities to CD45 catalytic center.

Abstract

<p>The binding affinity of the peroxytetradecanoic acid, hydrogen peroxide and phosphotyrosine (natural substrate as a control) calculated with docking software AutoDock Vina version 1.1.1. The receptor structure used for affinity calculations was based on the PDB structure 1YGU and ligands were drawn in ChemDraw and processed with Schrodinger LigPrep version 25111. The data present the means of 6 repetitions with different random seeds.</p