Optimized folding simulations of protein A.

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Optimized folding simulations of protein A. Abstract Text:

S Trebst,U H E Hansmann,S Trebst,U H E Hansmann,

We describe optimized parallel tempering simulations of the 46-residue B-fragment of protein A. Native-like configurations with a root-mean-square deviation of approximately 3 A to the experimentally determined structure (Protein Data Bank identifier 1BDD) are found. However, at biologically relevant temperatures such conformations appear with only approximately 10 % frequency in our simulations. Possible shortcomings in our energy function are discussed.

Optimized folding simulations of protein A. Publishing Authors By Initials

S Trebst,UH Hansmann,S Trebst,UH Hansmann,

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Optimized folding simulations of protein A. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: The European physical journal. E, Soft matter

VOLUME: 24

Page Numbers: 311-6

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ISSN: 1292-8941

DAY: 11

MONTH: 12

YEAR: 2007

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LANGUAGE: eng

NlmUniqueID: 101126530

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Grant and Affiliation Information for Optimized folding simulations of protein A.

AFFILIATION: Microsoft Research, Station Q, University of California, 93106, Santa Barbara, CA, USA.

Country: France

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MEDLINETA: Eur Phys J E Soft Matter

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