Structure and aggregation of a helix-forming polymer.

Magee, James E; Song, Zhankai; Curtis, Robin A; Lue, Leo

Magee, James E; Song, Zhankai; Curtis, Robin A; Lue, Leo.

Afiliación

Magee JE; School of Chemical Engineering and Analytical Science, The University of Manchester, P.O. Box 88, Sackville Street, Manchester, M60 1QD, United Kingdom. j.magee@manchester.ac.uk

J Chem Phys ; 126(14): 144911, 2007 Apr 14.

Article en En | MEDLINE | ID: mdl-17444747

RESUMEN

We have studied the competition between helix formation and aggregation for a simple polymer model. We present simulation results for a system of two such polymers, examining the potential of mean force, the balance between intermolecular and intramolecular interactions, and the promotion or disruption of secondary structure brought on by the proximity of the two molecules. In particular, we demonstrate that proximity between two such molecules can stabilize secondary structure. However, for this model, observed secondary structure is not stable enough to prevent collapse of the system into an unstructured globule.

Asunto(s)

Modelos Químicos; Modelos Moleculares; Polímeros/química; Proteínas/química; Proteínas/ultraestructura; Sitios de Unión; Simulación por Computador; Dimerización; Complejos Multiproteicos/química; Complejos Multiproteicos/ultraestructura; Unión Proteica; Conformación Proteica

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Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Polímeros / Proteínas / Modelos Moleculares / Modelos Químicos Idioma: En Revista: J Chem Phys Año: 2007 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos

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