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Factors governing electron capture by small disulfide loops in two-cysteine peptides

Dumont, Elise; Loos, Pierre-Francois; Assfeld, Xavier


Integrated molecular orbital-molecular orbital (IMOMO) calculations on 17 short disulfide-bridged peptides (up to 16 residues, with at most five intraloop residues) were performed to elucidate some factors controlling their electron capture. These illustrative systems display contrasted behaviors, shedding light on several criteria of differentiation: size, shape, and rigidity of the disulfide-linking loop, intramolecular hydrogen bonds, etc. The geometrical malleability of disulfide radical...[Show more]

CollectionsANU Research Publications
Date published: 2008
Type: Journal article
Source: Journal of Physical Chemistry B
DOI: 10.1021/jp806465e


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