Article ID Journal Published Year Pages File Type
10738242 Free Radical Biology and Medicine 2012 13 Pages PDF
Abstract
► Reduction potentials for sulfenylation were calculated at low computational cost. ► For analogous reactions, the reaction energy correlates with the free energy. ► Polar residues thermodynamically drive the oxidation of thiolate. ► A hydrophobic environment thermodynamically drives the thiol oxidation. ► In human peroxiredoxin, Arg127 determines the sulfenylation thermodynamics
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