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Bayesian inference of protein structure from chemical shift data

Protein chemical shifts are routinely used to augment molecular mechanics force fields in protein structure simulations, with weights of the chemical shift restraints determined empirically. These weights, however, might not be an optimal descriptor of a given protein structure and predictive model,...

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Detalles Bibliográficos
Autores principales: Bratholm, Lars A., Christensen, Anders S., Hamelryck, Thomas, Jensen, Jan H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: PeerJ Inc. 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4375973/
https://www.ncbi.nlm.nih.gov/pubmed/25825683
http://dx.doi.org/10.7717/peerj.861

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