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Microscopic events in β-hairpin folding from alternative unfolded ensembles

We have performed the first unbiased folding simulations of the GB1 hairpin in explicit solvent, using hundreds of microsecond-long molecular dynamics simulations (total time: 0.7 ms). Our simulations are initiated from two sets of structures. Starting from an equilibrium unfolded state, we obtain s...

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Detaylı Bibliyografya
Asıl Yazarlar: Best, Robert B., Mittal, Jeetain
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: National Academy of Sciences 2011
Konular:
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC3131341/
https://ncbi.nlm.nih.gov/pubmed/21690352
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1016685108
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