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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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| Udgivet i: | PLoS Comput Biol |
|---|---|
| Main Authors: | , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Public Library of Science
2020
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7250467/ https://ncbi.nlm.nih.gov/pubmed/32401799 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1007877 |
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