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Equilibrium simulations of proteins using molecular fragment replacement and NMR chemical shifts

Methods of protein structure determination based on NMR chemical shifts are becoming increasingly common. The most widely used approaches adopt the molecular fragment replacement strategy, in which structural fragments are repeatedly reassembled into different complete conformations in molecular sim...

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Detalhes bibliográficos
Main Authors: Boomsma, Wouter, Tian, Pengfei, Frellsen, Jes, Ferkinghoff-Borg, Jesper, Hamelryck, Thomas, Lindorff-Larsen, Kresten, Vendruscolo, Michele
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4183297/
https://ncbi.nlm.nih.gov/pubmed/25192938
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1404948111
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