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Transition-path sampling of β-hairpin folding

We examine the dynamical folding pathways of the C-terminal β-hairpin of protein G-B1 in explicit solvent at room temperature by means of a transition-path sampling algorithm. In agreement with previous free-energy calculations, the resulting path ensembles reveal a folding mechanism in which the hy...

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Bibliografiset tiedot
Julkaisussa:Proc Natl Acad Sci U S A
Päätekijä: Bolhuis, Peter G.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: National Academy of Sciences 2003
Aiheet:
Linkit:https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC218724/
https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/14523242/
https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.1534924100
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