Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations
Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations
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United States: National Academy of Sciences
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Language
English
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United States: National Academy of Sciences
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Characterizing the equilibrium ensemble of folding pathways, including their relative probability, is one of the major challenges in protein folding theory today. Although this information is in principle accessible via all-atom molecular dynamics simulations, it is difficult to compute in practice because protein folding is a rare event and the af...
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Full title
Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations
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TN_cdi_fao_agris_US201301702778
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_fao_agris_US201301702778
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ISSN
0027-8424
E-ISSN
1091-6490
DOI
10.1073/pnas.0905466106
