Can ionic effects induce α-sheet conformation of Peptides?
نویسندگان
چکیده
We report coupled cluster, MP2 and DFT data on the relative energy geometry of α-sheet β-strand conformations model peptides. show that ionic effects have a strong effect balance through formation multiple cation-oxygen contacts in form. Such are markedly dependent both sequence ion: two peptides considered favour presence cations, whereas third, non-polar one favours same conditions.
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2021
ISSN: ['0009-2614', '1873-4448']
DOI: https://doi.org/10.1016/j.cplett.2021.139095