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(Springer International Publishing AG, Cham, Switzerland), 195213

Chem Biol 21(3):319329

USA 112 , E6195E6204 (2015)

In summary, intracellular GSH levels are influenced by several factors: (i) oxidative stress, (ii) conjugation with electrophiles, (iii) export from the cell, (iv) enzymatic reduction of GSSG, and (v) de novo synthesis

Last pose molecular contact profiling First, to determine the stability of docked ligands in the catalytic pocket of the mh-Tyr enzyme, the last poses were extracted from respective 100 ns MD simulation trajectories and analyzed for the displacement of docked ligands against the respective initial docked poses