Ab initio molecular metadynamics simulation for S-nitrosylation by nitric oxide: S-nitroxide as the key intermediate
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DOI: 10.1080/08927022.2017.1319059
Abstract: Abstract Snitric oxide plays important roles in protein S-nitrosylation, in which thionitroxide (RSNHO) may serve as a signal at the cysteine site. Car-Parrinello metadynamics method was employed to investigate the possible fate of thionitroxide (S-nitroxide)… read more here.
Keywords: molecular metadynamics; simulation nitrosylation; nitrosylation; metadynamics simulation ... See more keywords