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Characterization of protein conformational states by normal-mode frequencies.

Abstract:

Conformational change in polymers including proteins is central to many molecular processes. Defining conformational states, however, remains a difficult and increasingly common problem, with many existing methods based on arbitrary or potentially unrepresentative measures. Furthermore, the expanding length of molecular dynamics simulations and direct observation of transitions between different energy basins suggest that this issue will only become evermore important. Methods commonly used t...

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Publication status:
Published

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Publisher copy:
10.1021/ja071797y

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Institution:
University of Oxford
Department:
Oxford, MSD, Primary Care Health Sciences, Biomedical RC
More by this author
Institution:
University of Oxford
Department:
Oxford, MSD, Biochemistry
Journal:
Journal of the American Chemical Society
Volume:
129
Issue:
37
Pages:
11394-11401
Publication date:
2007-09-05
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
URN:
uuid:cb105d25-ce99-445c-9355-a6fa54e1b929
Source identifiers:
100052
Local pid:
pubs:100052

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