Structural Transitions in the Polyalanine α-Helix under Uniaxial Strain.
We analyzed the response to strain of an infinite polyalanine chain in the α-helical conformation using density functional theory. Under compressive strain the π-helix is found to undergo structural transitions to a α-helix when the length of the helix is reduced by more than 10%. Under tensile stra...
| Publicado en: | Journal of the American Chemical Society Vol. 127; no. 49; pp. 17241 - 17245 |
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| Autores principales: | , , , , |
| Formato: | Artículo |
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American Chemical Society
12/14/2005
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=19332505&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 19332505 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 12/14/2005 vid: 127 iid: 49 pid: 997 pub: American Chemical Society artinfo: ui: 19332505 10.1021/ja053538j ppf: 17241 ppct: 4 formats: tig: atl: Structural Transitions in the Polyalanine α-Helix under Uniaxial Strain. aug: au: Ireta, Joel Neugebauer, Jörg Scheffler, Matthias Rojo, Arturo Galván, Marcelo affil: Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14 195 Berlin-Dahlem, Germany. Theoretische Physik, Universität Paderborn, D-33098 Paderborn, Germany. Max-Planck-Institut für Eisenforschung, Max-Planck-Str. 1, 40237 Düsseldorf, Germany. Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-lztapalapa, A. P. 55-534, México D. F. 09340. su: Alanine Polymers Density functionals Functional analysis Mimosine Calculus of variations sug: subj: Alanine Polymers Density functionals Functional analysis Mimosine Calculus of variations ab: We analyzed the response to strain of an infinite polyalanine chain in the α-helical conformation using density functional theory. Under compressive strain the π-helix is found to undergo structural transitions to a α-helix when the length of the helix is reduced by more than 10%. Under tensile strain the structure changes into a 3-helix when the length is stretched by more than 10%. Our analysis of these transitions shows that they proceed essentially in two steps: At first there is mainly a length change, and only with some delay the helix twist adjusts. pubtype: Academic Journal doctype: Article src: R language: Slovak refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2005 holdings: @attributes: islocal: N |
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