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Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25775
Abstract: The effects on the activity of thyroxine (T4) due to the chalcogen replacement in a series of peri‐substituted naphthalenes mimicking the catalytic function of deiodinase enzymes are computationally examined using density functional theory. In particular,…
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Keywords:
deiodinase;
naphthyl based;
halogen bond;
chalcogen ... See more keywords