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pubmed-article:11853419pubmed:abstractTextThe cooperativity in terms of enthalpy contribution for beta-sheet formation of polyglycine models in a vacuum has been studied theoretically by using a repeating unit approach. No cooperativity is found in the parallel direction for both the parallel and antiparallel beta-sheets. Cooperativity in the perpendicular direction is dependent upon the residue number (m) in each beta-strand. While there is large cooperativity in the acetamide hydrogen-bond chain (m = 0), the cooperativity is not large in beta-sheet networks (m > 0). SCIPCM solvent model calculations also significantly reduce the cooperativity in hydrogen-bond chains. It is concluded that cooperativity is mainly due to long-range electrostatic interactions and not due to the resonance effect.lld:pubmed
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pubmed-article:11853419pubmed:authorpubmed-author:ZhaoYi-LeiYLlld:pubmed
pubmed-article:11853419pubmed:authorpubmed-author:WuYun-DongYDlld:pubmed
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pubmed-article:11853419pubmed:day27lld:pubmed
pubmed-article:11853419pubmed:volume124lld:pubmed
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pubmed-article:11853419pubmed:pagination1570-1lld:pubmed
pubmed-article:11853419pubmed:dateRevised2008-1-17lld:pubmed
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pubmed-article:11853419pubmed:year2002lld:pubmed
pubmed-article:11853419pubmed:articleTitleA theoretical study of beta-sheet models: is the formation of hydrogen-bond networks cooperative?lld:pubmed
pubmed-article:11853419pubmed:affiliationDepartment of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, China.lld:pubmed
pubmed-article:11853419pubmed:publicationTypeJournal Articlelld:pubmed
pubmed-article:11853419pubmed:publicationTypeResearch Support, Non-U.S. Gov'tlld:pubmed
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