Accelerating prediction of chemical shift of protein structures on GPUs: Using OpenACC

Experimental chemical shifts (CS) from solution and solid state magic-angle-spinning nuclear magnetic resonance (NMR) spectra provide atomic level information for each amino acid within a protein or protein complex. However, structure determination of large complexes and assemblies based on NMR data...

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Detalles Bibliográficos
Autores principales: Wright, Eric, Ferrato, Mauricio H., Bryer, Alexander J., Searles, Robert, Perilla, Juan R., Chandrasekaran, Sunita
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7250467/
https://www.ncbi.nlm.nih.gov/pubmed/32401799
http://dx.doi.org/10.1371/journal.pcbi.1007877

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7250467/
https://www.ncbi.nlm.nih.gov/pubmed/32401799
http://dx.doi.org/10.1371/journal.pcbi.1007877

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