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A Hooke's law-based approach to protein folding rate

dc.creatorRuiz-Blanco Y.B.
dc.creatorMarrero-Ponce Y.
dc.creatorPrieto P.J.
dc.creatorSalgado J.
dc.creatorGarcía Y.
dc.creatorSotomayor-Torres C.M.
dc.identifier.citationJournal of Theoretical Biology; Vol. 364, pp. 407-417
dc.description.abstractKinetics is a key aspect of the renowned protein folding problem. Here, we propose a comprehensive approach to folding kinetics where a polypeptide chain is assumed to behave as an elastic material described by the Hooke[U+05F3]s law. A novel parameter called elastic-folding constant results from our model and is suggested to distinguish between protein with two-state and multi-state folding pathways. A contact-free descriptor, named folding degree, is introduced as a suitable structural feature to study protein-folding kinetics. This approach generalizes the observed correlations between varieties of structural descriptors with the folding rate constant. Additionally several comparisons among structural classes and folding mechanisms were carried out showing the good performance of our model with proteins of different types. The present model constitutes a simple rationale for the structural and energetic factors involved in protein folding kinetics. © 2014 Elsevier Ltd.eng
dc.format.mediumRecurso electrónico
dc.publisherAcademic Press
dc.titleA Hooke's law-based approach to protein folding rate
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dc.subject.keywordsElastic folding constant
dc.subject.keywordsFolding degree
dc.subject.keywordsFolding kinetics
dc.subject.keywordsReaction kinetics
dc.subject.keywordsAmino acid sequence
dc.subject.keywordsProtein folding
dc.subject.keywordsProtein structure
dc.subject.keywordsStructure analysis
dc.subject.keywordsTheoretical model
dc.subject.keywordsChemical model
dc.subject.keywordsComputer simulation
dc.subject.keywordsProtein secondary structure
dc.subject.keywordsComputer simulation
dc.subject.keywordsModels, Chemical
dc.subject.keywordsProtein folding
dc.subject.keywordsProtein Structure, Secondary
dc.rights.ccAtribución-NoComercial 4.0 Internacional
dc.identifier.instnameUniversidad Tecnológica de Bolívar
dc.identifier.reponameRepositorio UTB
dc.description.notesDNA, 9007-49-2; protein, 67254-75-5; DNA; Proteins

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