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- W2293550005 abstract "Significance ϕ-Value analysis remains the only experimental method that can give detailed structural information on protein folding transition states. Calculating ϕ-values from simulations is therefore an important validation of inferred folding mechanisms but has remained challenging. We describe a novel method for computing ϕ-values from folding transition paths, motivated by transition path theory. In addition to rendering an average ϕ-value, our approach can characterize pathway heterogeneity by resolving ϕ into contributions from individual transition paths. This method should be applicable not just to protein folding but to other complex self-assembly processes including protein binding or nucleic acid folding." @default.
- W2293550005 created "2016-06-24" @default.
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- W2293550005 creator A5059945365 @default.
- W2293550005 date "2016-03-08" @default.
- W2293550005 modified "2023-10-12" @default.
- W2293550005 title "Microscopic interpretation of folding ϕ-values using the transition path ensemble" @default.
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- W2293550005 doi "https://doi.org/10.1073/pnas.1520864113" @default.
- W2293550005 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4812701" @default.
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