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Can ionic effects induce α-sheet conformation of Peptides?

Alshammari, Nadiyah and Platts, James A. 2021. Can ionic effects induce α-sheet conformation of Peptides? Chemical Physics Letters 784 , 139095. 10.1016/j.cplett.2021.139095

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Abstract

We report coupled cluster, MP2 and DFT data on the relative energy and geometry of α-sheet and β-strand conformations of model peptides. We show that ionic effects have a strong effect on energy balance through formation of multiple cation-oxygen contacts in the α-sheet form. Such effects are markedly dependent on both sequence and ion: two peptides considered favour α-sheet in the presence of cations, whereas a third, non-polar one favours β-strand in the same conditions.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Publisher: Elsevier
ISSN: 0009-2614
Date of First Compliant Deposit: 27 October 2021
Date of Acceptance: 28 September 2021
Last Modified: 01 Oct 2022 04:33
URI: https://orca.cardiff.ac.uk/id/eprint/145104

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