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The adsorption and dynamics of cystine, which is the oxidized dimer of cysteine where the monomers are connected through a disulfide bond, on the Au(110) surface, in water solution, is characterized by means of classical molecular dynamics simulations based on a recently developed reactive force field (ReaxFF). The adopted computational procedure and the force field description are able to give a...
On page 6134, S. Monti and co‐workers present classical reactive (ReaxFF) molecular dynamics simulations of the adsorption of cysteine on gold supports. The cover image represents a gold vehicle functionalized with cysteine molecules moving in the blood stream towards its target cells. All the steps of the mechanism, namely physisorption, disulfide bond breaking, chemisorption, formation of staples,...
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