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Coarse-grained molecular dynamics simulations of membrane proteins and peptides.

Abstract:

Molecular dynamics (MD) simulations provide a valuable approach to the dynamics, structure, and stability of membrane-protein systems. Coarse-grained (CG) models, in which small groups of atoms are treated as single particles, enable extended (>100 ns) timescales to be addressed. In this study, we explore how CG-MD methods that have been developed for detergents and lipids may be extended to membrane proteins. In particular, CG-MD simulations of a number of membrane peptides and proteins a...

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Publication status:
Published

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Publisher copy:
10.1016/j.jsb.2006.10.004

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Journal:
Journal of structural biology
Volume:
157
Issue:
3
Pages:
593-605
Publication date:
2007-03-01
DOI:
EISSN:
1095-8657
ISSN:
1047-8477
Source identifiers:
100619

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