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Disulfide bond shuffling in bovine alpha-lactalbumin: MD simulation confirms experiment.

Abstract:
A simple and straightforward classical molecular dynamics simulation technique is proposed to predict possible disulfide bridge shuffling. Application to bovine alpha-lactalbumin shows that shuffling can be observed on short simulation time scales and yields results in agreement with experiment.
Publication status:
Published

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Publisher copy:
10.1021/bi8013455

Authors


Bolliger, C More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Inorganic Chemistry
van Gunsteren, WF More by this author
Journal:
Biochemistry
Volume:
47
Issue:
46
Pages:
12104-12107
Publication date:
2008-11-05
DOI:
EISSN:
1520-4995
ISSN:
0006-2960
URN:
uuid:b04c66f6-3b0c-41ce-8a5c-d0f389e21d1e
Source identifiers:
40982
Local pid:
pubs:40982

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