An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide

Autores
Tarditi, Ana Maria; Klipfel, Meghan W.; Rodriguez, Ana Maria; Suvire, Fernando Daniel; Chasse, Gregory A.; Farkas, Ödön; Perczel, AAndrás; Enriz, Ricardo Daniel
Año de publicación
2001
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The backbone potential energy surface (PES) (Ramachandran map) of N-acetyl-L-glutamine-N-methylamide has been studied at a,a side-chain orientation. Side-chain PESs at selected backbone conformations (γL and βL) were also studied. Side-chain-backbone interactions were analyzed in terms of energy and geometry.
Fil: Tarditi, Ana Maria. Universidad Nacional de San Luis; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Investigaciones en Catálisis y Petroquímica "Ing. José Miguel Parera". Universidad Nacional del Litoral. Instituto de Investigaciones en Catálisis y Petroquímica "Ing. José Miguel Parera"; Argentina
Fil: Klipfel, Meghan W.. Universidad Nacional de San Luis; Argentina
Fil: Rodriguez, Ana Maria. Universidad Nacional de San Luis; Argentina
Fil: Suvire, Fernando Daniel. Universidad Nacional de San Luis; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Chasse, Gregory A.. Universidad Nacional de San Luis; Argentina. University of Toronto; Canadá
Fil: Farkas, Ödön. Eötvös Loránd University; Hungría
Fil: Perczel, AAndrás. Eötvös Loránd University; Hungría
Fil: Enriz, Ricardo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
Materia
SIDE-CHAIN ORIENTATION IN GLUTAMINE
SIDE-CHAIN-BACKBONE INTERACTIONS
AB INITIO MO STUDY
PEPTIDE CONFORMATIONS
RAMACHANDRAN MAP OF GLUTAMINE RESIDUE
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/128042
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/128042
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamideTarditi, Ana MariaKlipfel, Meghan W.Rodriguez, Ana MariaSuvire, Fernando DanielChasse, Gregory A.Farkas, ÖdönPerczel, AAndrásEnriz, Ricardo DanielSIDE-CHAIN ORIENTATION IN GLUTAMINESIDE-CHAIN-BACKBONE INTERACTIONSAB INITIO MO STUDYPEPTIDE CONFORMATIONSRAMACHANDRAN MAP OF GLUTAMINE RESIDUEhttps://purl.org/becyt/ford/3.1https://purl.org/becyt/ford/3The backbone potential energy surface (PES) (Ramachandran map) of N-acetyl-L-glutamine-N-methylamide has been studied at a,a side-chain orientation. Side-chain PESs at selected backbone conformations (γL and βL) were also studied. Side-chain-backbone interactions were analyzed in terms of energy and geometry.Fil: Tarditi, Ana Maria. Universidad Nacional de San Luis; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Investigaciones en Catálisis y Petroquímica "Ing. José Miguel Parera". Universidad Nacional del Litoral. Instituto de Investigaciones en Catálisis y Petroquímica "Ing. José Miguel Parera"; ArgentinaFil: Klipfel, Meghan W.. Universidad Nacional de San Luis; ArgentinaFil: Rodriguez, Ana Maria. Universidad Nacional de San Luis; ArgentinaFil: Suvire, Fernando Daniel. Universidad Nacional de San Luis; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Chasse, Gregory A.. Universidad Nacional de San Luis; Argentina. University of Toronto; CanadáFil: Farkas, Ödön. Eötvös Loránd University; HungríaFil: Perczel, AAndrás. Eötvös Loránd University; HungríaFil: Enriz, Ricardo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; ArgentinaElsevier Science2001-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/128042Tarditi, Ana Maria; Klipfel, Meghan W.; Rodriguez, Ana Maria; Suvire, Fernando Daniel; Chasse, Gregory A.; et al.; An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide; Elsevier Science; Journal of Molecular Structure Theochem; 545; 1-3; 7-2001; 29-470166-1280CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0166128001003529info:eu-repo/semantics/altIdentifier/doi/10.1016/S0166-1280(01)00352-9info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-11-12T09:55:15Zoai:ri.conicet.gov.ar:11336/128042instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-11-12 09:55:15.95CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
title An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
spellingShingle An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
Tarditi, Ana Maria
SIDE-CHAIN ORIENTATION IN GLUTAMINE
SIDE-CHAIN-BACKBONE INTERACTIONS
AB INITIO MO STUDY
PEPTIDE CONFORMATIONS
RAMACHANDRAN MAP OF GLUTAMINE RESIDUE
title_short An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
title_full An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
title_fullStr An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
title_full_unstemmed An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
title_sort An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
dc.creator.none.fl_str_mv Tarditi, Ana Maria
Klipfel, Meghan W.
Rodriguez, Ana Maria
Suvire, Fernando Daniel
Chasse, Gregory A.
Farkas, Ödön
Perczel, AAndrás
Enriz, Ricardo Daniel
author Tarditi, Ana Maria
author_facet Tarditi, Ana Maria
Klipfel, Meghan W.
Rodriguez, Ana Maria
Suvire, Fernando Daniel
Chasse, Gregory A.
Farkas, Ödön
Perczel, AAndrás
Enriz, Ricardo Daniel
author_role author
author2 Klipfel, Meghan W.
Rodriguez, Ana Maria
Suvire, Fernando Daniel
Chasse, Gregory A.
Farkas, Ödön
Perczel, AAndrás
Enriz, Ricardo Daniel
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv SIDE-CHAIN ORIENTATION IN GLUTAMINE
SIDE-CHAIN-BACKBONE INTERACTIONS
AB INITIO MO STUDY
PEPTIDE CONFORMATIONS
RAMACHANDRAN MAP OF GLUTAMINE RESIDUE
topic SIDE-CHAIN ORIENTATION IN GLUTAMINE
SIDE-CHAIN-BACKBONE INTERACTIONS
AB INITIO MO STUDY
PEPTIDE CONFORMATIONS
RAMACHANDRAN MAP OF GLUTAMINE RESIDUE
purl_subject.fl_str_mv https://purl.org/becyt/ford/3.1
https://purl.org/becyt/ford/3
dc.description.none.fl_txt_mv The backbone potential energy surface (PES) (Ramachandran map) of N-acetyl-L-glutamine-N-methylamide has been studied at a,a side-chain orientation. Side-chain PESs at selected backbone conformations (γL and βL) were also studied. Side-chain-backbone interactions were analyzed in terms of energy and geometry.
Fil: Tarditi, Ana Maria. Universidad Nacional de San Luis; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Investigaciones en Catálisis y Petroquímica "Ing. José Miguel Parera". Universidad Nacional del Litoral. Instituto de Investigaciones en Catálisis y Petroquímica "Ing. José Miguel Parera"; Argentina
Fil: Klipfel, Meghan W.. Universidad Nacional de San Luis; Argentina
Fil: Rodriguez, Ana Maria. Universidad Nacional de San Luis; Argentina
Fil: Suvire, Fernando Daniel. Universidad Nacional de San Luis; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Chasse, Gregory A.. Universidad Nacional de San Luis; Argentina. University of Toronto; Canadá
Fil: Farkas, Ödön. Eötvös Loránd University; Hungría
Fil: Perczel, AAndrás. Eötvös Loránd University; Hungría
Fil: Enriz, Ricardo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
description The backbone potential energy surface (PES) (Ramachandran map) of N-acetyl-L-glutamine-N-methylamide has been studied at a,a side-chain orientation. Side-chain PESs at selected backbone conformations (γL and βL) were also studied. Side-chain-backbone interactions were analyzed in terms of energy and geometry.
publishDate 2001
dc.date.none.fl_str_mv 2001-07
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/128042
Tarditi, Ana Maria; Klipfel, Meghan W.; Rodriguez, Ana Maria; Suvire, Fernando Daniel; Chasse, Gregory A.; et al.; An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide; Elsevier Science; Journal of Molecular Structure Theochem; 545; 1-3; 7-2001; 29-47
0166-1280
CONICET Digital
CONICET
url http://hdl.handle.net/11336/128042
identifier_str_mv Tarditi, Ana Maria; Klipfel, Meghan W.; Rodriguez, Ana Maria; Suvire, Fernando Daniel; Chasse, Gregory A.; et al.; An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide; Elsevier Science; Journal of Molecular Structure Theochem; 545; 1-3; 7-2001; 29-47
0166-1280
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0166128001003529
info:eu-repo/semantics/altIdentifier/doi/10.1016/S0166-1280(01)00352-9
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.976206

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