Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residues

The following article appeared in Journal of Chemical Physics 134.6 (2011): 061101 and may be found at http://scitation.aip.org/content/aip/journal/jcp/134/6/10.1063/1.3553204

Detalles Bibliográficos
Autores: Suardíaz, Reynier, Crespo-Otero, Rachel, De La Vega, José Manuel García, Pérez, Carlos, San Fabián Maroto, Jesús
Tipo de recurso: artículo
Fecha de publicación:2011
País:España
Institución:Universidad Autónoma de Madrid
Repositorio:Biblos-e Archivo. Repositorio Institucional de la UAM
Idioma:inglés
OAI Identifier:oai:repositorio.uam.es:10486/665827
Acceso en línea:http://hdl.handle.net/10486/665827
https://dx.doi.org/10.1063/1.3553204
Access Level:acceso abierto
Palabra clave:Química
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spelling Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residuesSuardíaz, ReynierCrespo-Otero, RachelDe La Vega, José Manuel GarcíaPérez, CarlosSan Fabián Maroto, JesúsQuímicaThe following article appeared in Journal of Chemical Physics 134.6 (2011): 061101 and may be found at http://scitation.aip.org/content/aip/journal/jcp/134/6/10.1063/1.3553204Quantitative side-chain torsion angle χ1 determinations of phenylalanine residues in Desulfovibrio vulgaris flavodoxin are carried out using exclusively the correlation between the experimental vicinal coupling constants and theoretically determined Karplus equations. Karplus coefficients for nine vicinal coupling related with the torsion angle χ1 were calculated using the B3LYP functional and basis sets of different size. Optimized χ1 angles are in outstanding agreement with those previously reported by employing x ray and NMR measurementsFinancial support from the MICINN of Spain (Project No. CTQ2007-66547 and CTQ2010-19232), the Comunidad de Madrid (Project Nos. S2009/ENE-1743) and AECID (Project No. D/023653/09) is gratefully acknowledged. Computational facilities have been provided by CCC-UAMAIP Publishing LLCDepartamento de Química Física AplicadaFacultad de Ciencias20112011-02-10research articlehttp://purl.org/coar/resource_type/c_2df8fbb1VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10486/665827https://dx.doi.org/10.1063/1.3553204reponame:Biblos-e Archivo. Repositorio Institucional de la UAMinstname:Universidad Autónoma de MadridInglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:repositorio.uam.es:10486/6658272026-06-23T12:46:27Z
dc.title.none.fl_str_mv Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residues
title Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residues
spellingShingle Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residues
Suardíaz, Reynier
Química
title_short Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residues
title_full Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residues
title_fullStr Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residues
title_full_unstemmed Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residues
title_sort Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residues
dc.creator.none.fl_str_mv Suardíaz, Reynier
Crespo-Otero, Rachel
De La Vega, José Manuel García
Pérez, Carlos
San Fabián Maroto, Jesús
author Suardíaz, Reynier
author_facet Suardíaz, Reynier
Crespo-Otero, Rachel
De La Vega, José Manuel García
Pérez, Carlos
San Fabián Maroto, Jesús
author_role author
author2 Crespo-Otero, Rachel
De La Vega, José Manuel García
Pérez, Carlos
San Fabián Maroto, Jesús
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Departamento de Química Física Aplicada
Facultad de Ciencias
dc.subject.none.fl_str_mv Química
topic Química
description The following article appeared in Journal of Chemical Physics 134.6 (2011): 061101 and may be found at http://scitation.aip.org/content/aip/journal/jcp/134/6/10.1063/1.3553204
publishDate 2011
dc.date.none.fl_str_mv 2011
2011-02-10
dc.type.none.fl_str_mv research article
http://purl.org/coar/resource_type/c_2df8fbb1
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10486/665827
https://dx.doi.org/10.1063/1.3553204
url http://hdl.handle.net/10486/665827
https://dx.doi.org/10.1063/1.3553204
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv AIP Publishing LLC
publisher.none.fl_str_mv AIP Publishing LLC
dc.source.none.fl_str_mv reponame:Biblos-e Archivo. Repositorio Institucional de la UAM
instname:Universidad Autónoma de Madrid
instname_str Universidad Autónoma de Madrid
reponame_str Biblos-e Archivo. Repositorio Institucional de la UAM
collection Biblos-e Archivo. Repositorio Institucional de la UAM
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,301629

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