| Literature DB >> 15469313 |
Jan Rossmeisl1, Jens K Nørskov, Karsten W Jacobsen.
Abstract
We present extensive density functional theory calculations of the bonding between strands in beta-sheets. We identify a significant cooperative effect whereby the interaction increases in strength with the number of strands. We show that the effect is related to a coupling between interstrand bonding and intrastrand elastic properties. It is found that a direct consequence of this coupling is that the pitch of beta-sheets should contract with increasing number of strands, and we show that the effect can be observed directly in experimental data from the Protein Data Bank.Mesh:
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Year: 2004 PMID: 15469313 DOI: 10.1021/ja0490626
Source DB: PubMed Journal: J Am Chem Soc ISSN: 0002-7863 Impact factor: 15.419