Protein Structure Validation and Refinement Using Amide Proton Chemical Shifts Derived from Quantum Mechanics

We present the ProCS method for the rapid and accurate prediction of protein backbone amide proton chemical shifts - sensitive probes of the geometry of key hydrogen bonds that determine protein structure. ProCS is parameterized against quantum mechanical (QM) calculations and reproduces high level...

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Detalles Bibliográficos
Autores principales: Christensen, Anders S., Linnet, Troels E., Borg, Mikael, Boomsma, Wouter, Lindorff-Larsen, Kresten, Hamelryck, Thomas, Jensen, Jan H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2013
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3877219/
https://www.ncbi.nlm.nih.gov/pubmed/24391900
http://dx.doi.org/10.1371/journal.pone.0084123

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3877219/
https://www.ncbi.nlm.nih.gov/pubmed/24391900
http://dx.doi.org/10.1371/journal.pone.0084123

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