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Microscopic interpretation of folding ϕ-values using the transition path ensemble

All-atom molecular dynamics simulations now allow us to create movies of proteins folding and unfolding. However, it is difficult to assess the accuracy of the folding mechanisms observed because experiments cannot yet directly resolve events occurring along the transition paths between unfolded and...

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Veröffentlicht in:Proc Natl Acad Sci U S A
Hauptverfasser: Best, Robert B., Hummer, Gerhard
Format: Artigo
Sprache:Inglês
Veröffentlicht: National Academy of Sciences 2016
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4812701/
https://ncbi.nlm.nih.gov/pubmed/26957599
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1520864113
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