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• W2169034471 abstract "The thermodynamic properties for three different types of off-lattice four-strand antiparallel β-strand protein models interacting via a hybrid Go-type potential have been investigated. Discontinuous molecular dynamic simulations have been performed for different sizes of the bias gap g, an artificial measure of a model protein’s preference for its native state. The thermodynamic transition temperatures are obtained by calculating the squared radius of gyration Rg2, the root-mean-squared pair separation fluctuation ΔB, the specific heat Cv, the internal energy of the system E, and the Lindemann disorder parameter ΔL. Despite these models’ simplicity, they exhibit a complex set of protein transitions, consistent with those observed in experimental studies on real proteins. Starting from high temperature, these transitions include a collapse transition, a disordered-to-ordered globule transition, a folding transition, and a liquid-to-solid transition. The high temperature transitions, i.e., the collapse transition and the disordered-to-ordered globule transition, exist for all three β-strand proteins, although the native-state geometry of the three model proteins is different. However the low temperature transitions, i.e., the folding transition and the liquid-to-solid transition, strongly depend on the native-state geometry of the model proteins and the size of the bias gap." @default.
• W2169034471 created "2016-06-24" @default.
• W2169034471 creator A5032724151 @default.
• W2169034471 creator A5057051008 @default.
• W2169034471 creator A5071084031 @default.
• W2169034471 date "2002-02-01" @default.
• W2169034471 modified "2023-10-17" @default.
• W2169034471 title "Folding Thermodynamics of Model Four-Strand Antiparallel β-Sheet Proteins" @default.
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• W2169034471 doi "https://doi.org/10.1016/s0006-3495(02)75428-3" @default.
• W2169034471 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/1301875" @default.
• W2169034471 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/11806908" @default.
• W2169034471 hasPublicationYear "2002" @default.
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