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Quantum-mechanics-derived (13)C(α) chemical shift server (CheShift) for protein structure validation

A server (CheShift) has been developed to predict (13)C(α) chemical shifts of protein structures. It is based on the generation of 696,916 conformations as a function of the φ, ψ, ω, χ1 and χ2 torsional angles for all 20 naturally occurring amino acids. Their (13)C(α) chemical shifts were computed a...

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Autors principals: Vila, Jorge A., Arnautova, Yelena A., Martin, Osvaldo A., Scheraga, Harold A.
Format: Artigo
Idioma:Inglês
Publicat: National Academy of Sciences 2009
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC2761357/
https://ncbi.nlm.nih.gov/pubmed/19805131
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0908833106
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