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

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...

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Detalles Bibliográficos
Autores: Tarditi, Ana Maria, Klipfel, Meghan W., Rodriguez, Ana Maria, Suvire, Fernando Daniel, Chasse, Gregory A., Farkas, Ödön, Perczel, AAndrás, Enriz, Ricardo Daniel
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2001
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/128042
Acceso en línea:http://hdl.handle.net/11336/128042
Access Level:acceso abierto
Palabra clave:SIDE-CHAIN ORIENTATION IN GLUTAMINE
SIDE-CHAIN-BACKBONE INTERACTIONS
AB INITIO MO STUDY
PEPTIDE CONFORMATIONS
RAMACHANDRAN MAP OF GLUTAMINE RESIDUE
https://purl.org/becyt/ford/3.1
https://purl.org/becyt/ford/3
Descripción
Sumario: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.

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