Globular Structures of a Helix-Coil Copolymer: Self-Consistent Treatment

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dc.creatorNowak, Christian
dc.creatorRostiashvili, Vakhtang G.
dc.creatorVilgis, Thomas A.
dc.date2006-12-28
dc.date2007-01-29
dc.date.accessioned2026-07-07T07:43:11Z
dc.date.available2026-07-07T07:43:11Z
dc.descriptionA self-consistent field theory was developed in the grand-canonical ensemble formulation to study transitions in a helix-coil multiblock globule. Helical and coil parts are treated as stiff rods and self-avoiding walks of variable lengths correspondingly. The resulting field-theory takes, in addition to the conventional Zimm-Bragg (B.H. Zimm, I.K. Bragg, J. Chem. Phys. 31, 526 (1959)) parameters, also three-dimensional interaction terms into account. The appropriate differential equations which determine the self-consistent fields were solved numerically with finite element method. Three different phase states are found: open chain, amorphous globule and nematic liquid-crystalline (LC) globule. The LC-globule formation is driven by the interplay between the hydrophobic helical segments attraction and the anisotropic globule surface energy of an entropic nature. The full phase diagram of the helix-coil copolymer was calculated and thoroughly discussed. The suggested theory shows a clear interplay between secondary and tertiary structures in globular homopolypeptides.
dc.description26 pages, 30 figures, corrected some typos
dc.identifierhttps://arxiv.org/abs/cond-mat/0612661
dc.identifierhttp://arxiv.org/abs/cond-mat/0612661
dc.identifierJ. Chem. Phys. 126, 034902 (2007)
dc.identifierdoi:10.1063/1.2403868
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/122725
dc.subjectSoft Condensed Matter
dc.subjectStatistical Mechanics
dc.titleGlobular Structures of a Helix-Coil Copolymer: Self-Consistent Treatment
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