title: Transition states for cysteine redox processes modeled by DFT and solvent-assisted proton exchange.
abstract: Oxidation and disulfide coupling of cysteine, processes central to oxidative stress and biochemical signaling, are modeled using DFT and solvent-assisted proton exchange, a method of microsolvation. Calculated barriers are consistent with experimental kinetics and observed product ratios and suggest a dependence on the polarity of the surrounding medium.
authors: Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, Virginia, USA. cbayse@odu.edu
authors: Craig A
authors: CA
authors: Bayse