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Understanding beta-hairpin formation by molecular dynamics simulations of unfolding.

We have studied the mechanism of formation of a 16-residue beta-hairpin from the protein GB1 using molecular dynamics simulations in an aqueous environment. The analysis of unfolding trajectories at high temperatures suggests a refolding pathway consisting of several transient intermediates. The cha...

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Autori principali: Lee, J, Shin, S
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2001
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC1301720/
https://ncbi.nlm.nih.gov/pubmed/11606266
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