A Pairwise preferential interaction model for understanding peptide aggregation

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dc.contributor.author Kang, Myungshim
dc.contributor.author Smith, Paul E.
dc.date.accessioned 2011-08-22T18:03:53Z
dc.date.available 2011-08-22T18:03:53Z
dc.date.issued 2011-08-22
dc.identifier.uri http://hdl.handle.net/2097/12053
dc.description.abstract A pairwise preferential interaction model (PPIM), based on Kirkwood-Buff integrals, is developed to quantify and characterize the interactions between some of the functional groups commonly observed in peptides. The existing experimental data are analyzed to determine the preferential interaction parameters for different amino acid and small peptide systems in aqueous solutions. The preferential interactions between the different functional groups present in the peptides are then isolated and quantified by assuming simple pairwise additivity. The PPIM approach provides consistent estimates for the pair interactions between the same functional groups obtained from different solute molecules. Furthermore, these interactions appear to be chemically intuitive. It is argued that this type of approach can provide valuable information concerning specific functional group correlations which could give rise to peptide aggregation. en_US
dc.relation.uri http://www.springerlink.com/content/215301p56409n186/ en_US
dc.rights The final publication is available at www.springerlink.com en_US
dc.subject Amino acids en_US
dc.subject Kirkwood-Buff integrals en_US
dc.subject Pairwise preferential interaction model en_US
dc.subject Peptide aggregation en_US
dc.subject Preferential interactions en_US
dc.title A Pairwise preferential interaction model for understanding peptide aggregation en_US
dc.type Article (author version) en_US
dc.date.published 2010 en_US
dc.citation.doi doi: 10.1007/s10765-009-0694-z en_US
dc.citation.epage 804 en_US
dc.citation.issue 4-5 en_US
dc.citation.jtitle International Journal of Thermophysics en_US
dc.citation.spage 793 en_US
dc.citation.volume 31 en_US
dc.contributor.authoreid pesmith en_US

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